Naloxone

Naloxone

SCHEMBL2588324

C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1OPRK1OPRM1

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

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 known ✓ P41145 9/20 0.71
OPRM1 known ✓ P35372 9/20 0.71
OPRD1 known ✓ P41143 8/20 0.71
CYP2D6 P10635 3/20 0.71
CYBB P04839 2/20 0.71
NFKB1 P19838 1/20 0.71
LMNA P02545 1/20 0.71
KDM4E B2RXH2 1/20 0.71
HSD17B10 Q99714 1/20 0.71
MAPT P10636 1/20 0.70
BLM P54132 1/20 0.70
SIGMAR1 Q99720 1/20 0.64
MRGPRX2 Q96LB1 2/20 0.60
SLC22A1 O15245 1/20 0.60
ADRA2A P08913 1/20 0.60
ARRB1 P49407 1/20 0.60

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
Naloxone SCHEMBL28209122 0.99 OPRK1 (0.71) OPRK1OPRM1OPRD1CYP2D6CYBB
Naloxone SCHEMBL4950697 0.97 OPRK1 (0.68) OPRK1OPRM1OPRD1CYP2D6CYBB
Naloxone SCHEMBL2307300 0.95 OPRK1 (0.74) OPRK1OPRM1OPRD1CYP2D6CYBB
Naloxone SCHEMBL5657970 0.95 OPRM1 (0.66) OPRK1OPRM1OPRD1CYP2D6CYBB
Naltrexone SCHEMBL2425204 0.91 OPRM1 (0.71) OPRK1OPRM1OPRD1CYP2D6LMNA
Oxymorphone SCHEMBL11477430 0.91 OPRD1 (0.72) OPRK1OPRM1OPRD1MRGPRX2SLC22A1
Naltrexone SCHEMBL9837116 0.91 OPRK1 (0.68) OPRK1OPRM1OPRD1CYP2D6CYBB
Nalorphine SCHEMBL19816078 0.91 OPRK1 (0.63) OPRK1OPRM1OPRD1CYP2D6CYBB
Naltrexone SCHEMBL29392247 0.89 OPRM1 (0.67) OPRK1OPRM1OPRD1CYP2D6LMNA
Nalmefene SCHEMBL7574800 0.89 OPRK1 (0.64) OPRK1OPRM1OPRD1CYP2D6CYBB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011139595-A2 ELONGATED BIODEGRADABLE DEPOT FOR SUSTAINED DRUG RELEASE TO TREAT CHRONIC PELVIC PAIN MEDTRONIC, INC. (US) 2011-11-10 WO claimed
CN-110478350-A The application of bulleyaconitine A and its derivative in the preparation inhibition addicted drug of drug SHANGHAI PINSHAN MEDICAL CONSULTING CO LTD 2019-11-22 CN disclosed
US-8557271-B2 Drug depot implantable within a joint WARSAW ORTHOPEDIC, INC. (US) 2013-10-15 US disclosed
WO-2011139594-A2 ARTIFICIAL BURSA FOR INTRA-ARTICULAR DRUG DELIVERY MEDTRONIC, INC. (US) 2011-11-10 WO disclosed
WO-2011139595-A2 ELONGATED BIODEGRADABLE DEPOT FOR SUSTAINED DRUG RELEASE TO TREAT CHRONIC PELVIC PAIN MEDTRONIC, INC. (US) 2011-11-10 WO disclosed
EP-2148864-A2 FUSED-RING HETEROCYCLE OPIOIDS Rensselaer Polytechnic Institute (US) 2010-02-03 EP disclosed
US-20100015196-A1 Drug Depot Implantable Within a Joint WARSAW ORTHOPEDIC, INC. (US) 2010-01-21 US disclosed
WO-2010009111-A2 A DRUG DEPOT IMPLANTABLE WITHIN A SYNOVIAL JOINT WARSAW ORTHOPEDIC, INC. (US) 2010-01-21 WO disclosed
WO-2009079211-A1 A TENDON AND LIGAMENT REPAIR SHEET AND METHODS OF USE WARSAW ORTHOPEDIC, INC. (US) 2009-06-25 WO disclosed
US-20090157193-A1 Tendon and Ligament Repair Sheet and Methods of Use WARSAW ORTHOPEDIC, INC. (US) 2009-06-18 US disclosed
WO-2008144394-A2 FUSED-RING HETEROCYCLE OPIOIDS RENSSELAER POLYTECHNIC INSTITUTE (US) 2008-11-27 WO disclosed
CN-101090891-A Methods for treating diseases with 4-hydroxybenzomorphans RENSSELAER POLYTECH INST (US) 2007-12-19 CN disclosed
EP-1817291-A1 4-HYDROXYBENZOMORPHANS RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-08-15 EP disclosed
WO-2006052710-A1 4-HYDROXYBENZOMORPHANS RENSSELAER POLYTECHNIC INSTITUTE (US) 2006-05-18 WO disclosed
EP-1407771-A1 SOPHORIDINE AND USE THEREOF AS AN ANALGESIC Tonghua Fangda Pharmaceuticals, Ltd (CN) 2004-04-14 EP disclosed
EP-1353909-A2 8-SUBSTITUTED-2,6-METHANO-3-BENZAZOCINES AND 3-SUBSTITUTED MORPHINANES AS OPIOIDRECEPTOR BINDING AGENTS Rensselaer Polytechnic Institute (US) 2003-10-22 EP disclosed
WO-2002036573-A2 8- SUBSTITUTED-2, 6-METHANO-3-BENZAZOCINES AND 3-SUBSTITUTED MORPHINANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 2002-05-10 WO disclosed
EP-0454773-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS Bundgaard, Hans (DK) 1991-11-06 EP disclosed
WO-1990008128-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS BUNDGAARD HANS (DK) 1990-07-26 WO disclosed