Fentanyl

Fentanyl

SCHEMBL193602

CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Fentanyl. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 9/20 0.80
▸ OPRD1 P41143 6/20 0.80
▸ OPRK1 P41145 5/20 0.80
▸ SIGMAR1 Q99720 2/20 0.80
▸ SLC22A1 O15245 1/20 0.80
▸ NR1I2 O75469 1/20 0.80
▸ ABCB1 P08183 1/20 0.80
▸ CHRM1 P11229 1/20 0.80
▸ DRD2 P14416 1/20 0.80
▸ ADRA2B P18089 1/20 0.80
▸ ADRA2C P18825 1/20 0.80
▸ CHRM3 P20309 1/20 0.80
▸ MAOA P21397 1/20 0.80
▸ DRD4 P21917 1/20 0.80
▸ MAOB P27338 1/20 0.80
▸ ADRA1A P35348 1/20 0.80
▸ HRH1 P35367 1/20 0.80
▸ ADRA1B P35368 1/20 0.80
▸ DRD3 P35462 1/20 0.80
▸ CHRNA4 P43681 1/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Fentanyl SCHEMBL216836 1.00 OPRM1 (0.80) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL40733 1.00 OPRM1 (0.80) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL6002326 1.00 OPRM1 (0.80) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL6908995 1.00 OPRM1 (0.80) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL27481710 0.99 OPRM1 (0.78) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL19066928 0.99 OPRM1 (0.78) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL2722646 0.96 OPRM1 (0.74) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL1773864 0.91 OPRM1 (0.66) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL8804 0.89 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1SLC22A1
Fentanyl SCHEMBL916599 0.89 OPRM1 (1.00) OPRM1OPRD1OPRK1SIGMAR1SLC22A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9427435-B2 Narcotic emulsion formulations for treatment of cancer pain TEIKOKU PHARMA USA, INC. (US) 2016-08-30 — — US claimed
US-20150141461-A1 Narcotic Emulsion Formulations for Treatment of Cancer Pain TEIKOKU PHARMA USA, INC. 2015-05-21 — — US claimed
EP-2400838-A1 NARCOTIC EMULSION FORMULATIONS FOR TREATMENT OF CANCER PAIN Teikoku Pharma USA, Inc. (US) 2012-01-04 — — EP claimed
EP-2276440-A2 NARCOTIC EMULSION FORMULATIONS FOR TREATMENT OF SURGICAL PAIN Teikoku Pharma USA, Inc. (US) 2011-01-26 — — EP claimed
WO-2010098897-A1 NARCOTIC EMULSION FORMULATIONS FOR TREATMENT OF CANCER PAIN TEIKOKU PHARMA USA, INC. (US) 2010-09-02 — — WO claimed
US-20100216842-A1 Narcotic Emulsion Formulations for Treatment of Cancer Pain TEIKOKU PHARMA USA INC. 2010-08-26 — — US claimed
WO-2009140059-A2 NARCOTIC EMULSION FORMULATIONS FOR TREATMENT OF SURGICAL PAIN TEIKOKU PHARMA USA, INC. (US) 2009-11-19 — — WO claimed
US-20090286832-A1 NARCOTIC EMULSION FORMULATIONS FOR TREATMENT OF SURGICAL PAIN TEIKOKU PHARMA USA INC. 2009-11-19 — — US claimed
US-9427435-B2 Narcotic emulsion formulations for treatment of cancer pain TEIKOKU PHARMA USA, INC. (US) 2016-08-30 — — US disclosed
EP-2400838-B1 NARCOTIC EMULSION FORMULATIONS FOR TREATMENT OF CANCER PAIN TEIKOKU PHARMA USA INC (US) 2016-05-11 — — EP disclosed
US-20150141461-A1 Narcotic Emulsion Formulations for Treatment of Cancer Pain TEIKOKU PHARMA USA, INC. 2015-05-21 — — US disclosed
US-8871791-B2 Narcotic emulsion formulations for treatment of cancer pain TEIKOKU PHARMA USA, INC. (US) 2014-10-28 — — US disclosed
US-20140296830-A1 METHODS OF ADMINISTERING DRUGS IN AN IMPLANTABLE MULTI-CHAMBER PUMP Jazz Pharmaceuticals, Inc. (US) 2014-10-02 — — US disclosed
EP-2400838-A1 NARCOTIC EMULSION FORMULATIONS FOR TREATMENT OF CANCER PAIN Teikoku Pharma USA, Inc. (US) 2012-01-04 — — EP disclosed
EP-1641441-A2 TAMPER-RESISTANT TRANSDERMAL DOSAGE FORM COMPRISING AN ACTIVE AGENT COMPONENT AND AN ADVERSE AGENT COMPONENT AT THE DISTAL SITE OF THE ACTIVE AGENT LAYER Purdue Pharma Ltd. (US) 2006-04-05 — — EP disclosed
EP-1638535-A1 SUBCUTANEOUS IMPLANTS HAVING LIMITED INITIAL RELEASE OF THE ACTIVE PRINCIPLE AND SUBSEQUENT LINEARLY VARYING EXTENDED RELEASE THEREOF Mediolanum Pharmaceuticals Limited (IE) 2006-03-29 — — EP disclosed
WO-2005000278-A1 SUBCUTANEOUS IMPLANTS HAVING LIMITED INITIAL RELEASE OF THE ACTIVE PRINCIPLE AND SUBSEQUENT LINEARLY VARYING EXTENDED RELEASE THEREOF MEDIOLANUM PHARMACEUTICALS LTD. (IE) 2005-01-06 — — WO disclosed
WO-2004098567-A2 TAMPER-RESISTANT TRANSDERMAL DOSAGE FORM COMPRISING AN ACTIVE AGENT COMPONENT AND AN ADVERSE AGENT COMPONENT AT THE DISTAL SITE OF THE ACTIVE AGENT LAYER PURDUE PHARMA L.P. (US) 2004-11-18 — — WO disclosed
US-5716631-A SOLUBILIZED WITHIN POLYMER MATRIX RDN THERAPEUTICS INC. (CA) 1998-02-10 — — US disclosed
US-5709883-A SOLUBILIZED IN POLYMER MATRIX BLEND; SUSTAINED RELEASE L.A.M. PHARMACEUTICALS, LLC (US) 1998-01-20 — — US disclosed
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