Diphenoxylate

Diphenoxylate

SCHEMBL2522739

CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1

The experimentally established mechanism targets of Diphenoxylate. 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 4/20 0.69
▸ KCNA3 P22001 3/20 0.69
▸ CHRM2 P08172 2/20 0.54
▸ CHRM5 P08912 2/20 0.54
▸ CHRM1 P11229 2/20 0.54
▸ CHRM3 P20309 2/20 0.54
▸ HTR2C P28335 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ADRA2C P18825 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ CHRM4 P08173 1/20 0.54
▸ ADRA1D P25100 1/20 0.54

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
Diphenoxylate SCHEMBL4060051 1.00 OPRM1 (0.69) OPRM1KCNA3CHRM2CHRM5CHRM1
Diphenoxylate SCHEMBL16766515 0.97 OPRM1 (0.65) OPRM1KCNA3CHRM2CHRM5CHRM1
Diphenoxylate SCHEMBL865011 0.97 OPRM1 (0.64) OPRM1KCNA3CHRM2CHRM5CHRM1
Diphenoxylate SCHEMBL1831278 0.86 OPRM1 (0.51) OPRM1KCNA3CHRM2CHRM5CHRM1
Diphenoxylate SCHEMBL42940 0.83 OPRM1 (1.00) OPRM1KCNA3ADRA1ASLC22A1OPRD1
Diphenoxylate SCHEMBL28596518 0.82 OPRM1 (0.98) OPRM1KCNA3ADRA1ASLC22A1OPRD1
Diphenoxylate SCHEMBL42124 0.82 OPRM1 (0.98) OPRM1KCNA3ADRA1ASLC22A1OPRD1
Diphenoxylate SCHEMBL28374697 0.82 OPRM1 (0.98) OPRM1KCNA3ADRA1ASLC22A1OPRD1
Diphenoxylate SCHEMBL20595320 0.82 OPRM1 (0.98) OPRM1KCNA3ADRA1ASLC22A1OPRD1
Diphenoxylate SCHEMBL28385054 0.82 OPRM1 (0.98) OPRM1KCNA3ADRA1ASLC22A1OPRD1

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-2008116165-A9 METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION NEXT SAFETY INC (US) 2009-06-11 — — WO claimed
WO-2008116165-A2 METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION NEXT SAFETY, INC. (US) 2008-09-25 — — WO claimed
US-20080066741-A1 METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION HUNTER, CHARLES ERIC 2008-03-20 — — US claimed
US-9554989-B2 Silk reservoirs for drug delivery TRUSTEES OF TUFTS COLLEGE (US) 2017-01-31 — — US disclosed
CN-105687167-A Extrudable and extruded compositions for delivery of bioactive agents, method of making the same and method of using same 菲利普莫里斯生产公司 2016-06-22 — — CN disclosed
CN-104797240-A Composition for immediate and extended release FERRING BV 2015-07-22 — — CN disclosed
CN-104606128-A A FAST DISSOLVING PHARMACEUTICAL COMPOSITION FERRING BV 2015-05-13 — — CN disclosed
CN-102834091-B Fast dissolving pharmaceutical composition FERRING BV 2015-04-22 — — CN disclosed
US-20150045764-A1 SILK RESERVOIRS FOR DRUG DELIVERY TRUSTEES OF TUFTS COLLEGE 2015-02-12 — — US disclosed
EP-2827884-A1 SILK RESERVOIRS FOR DRUG DELIVERY Trustees Of Tufts College (US) 2015-01-28 — — EP disclosed
CN-103945834-A Biocompatible film with variable cross-sectional properties MONOSOL RX LLC 2014-07-23 — — CN disclosed
CN-103781467-A Fast dissolving pharmaceutical composition FERRING BV 2014-05-07 — — CN disclosed
WO-2013148158-A1 LASER-ACTUATED THERAPEUTIC NANOPARTICLES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-10-03 — — WO disclosed
WO-2013142119-A1 SILK RESERVOIRS FOR DRUG DELIVERY TRUSTEES OF TUFTS COLLEGE (US) 2013-09-26 — — WO disclosed
CN-102834091-A Fast dissolving pharmaceutical composition FERRING BV 2012-12-19 — — CN disclosed
CN-102821755-A Fast dissolving pharmaceutical composition FERRING BV 2012-12-12 — — CN disclosed
US-20110240504-A1 METHOD AND APPARATUS FOR PACKAGING AND DISPENSING PHARMACEUTICALS APOTEX TECHNOLOGIES INC. (CA) 2011-10-06 — — US disclosed
CN-101878025-A Extrudable and extruded compositions for delivery of bioactive agents, methods of making and methods of using the same FUISZ RICHARD C 2010-11-03 — — CN disclosed
CN-101610670-A The preparation and the purposes of 2-hydroxyl-5-phenylazobenzoic acid derivatives SALIX PHARMACEUTICALS INC (US) 2009-12-23 — — CN disclosed
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