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SCHEMBL11604250

SCHEMBL11604250

N#CC(CCN1CCC(C(=O)OC(=O)C2(c3ccccc3)CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 10/20 0.84
▸ OPRM1 P35372 1/20 0.80
▸ CCR1 P32246 6/20 0.58
▸ RAB9A P51151 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ CCR3 P51677 1/20 0.51

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
Difenoxin SCHEMBL123801 0.90 KCNA3 (0.78) KCNA3OPRM1CCR1RAB9ANPSR1
Diphenoxylate SCHEMBL42940 0.89 OPRM1 (1.00) KCNA3OPRM1
Difenoxin SCHEMBL11604884 0.88 KCNA3 (0.76) KCNA3OPRM1CCR1RAB9ANPSR1
Difenoxin SCHEMBL149008 0.88 KCNA3 (0.76) KCNA3OPRM1CCR1RAB9ANPSR1
Diphenoxylate SCHEMBL28596518 0.88 OPRM1 (0.98) KCNA3OPRM1
Diphenoxylate SCHEMBL28385054 0.88 OPRM1 (0.98) KCNA3OPRM1
Hydrochloric Acid SCHEMBL11607175 0.88 KCNA3 (0.80) KCNA3OPRM1CCR1RAB9ANPSR1
Diphenoxylate SCHEMBL28374697 0.88 OPRM1 (0.98) KCNA3OPRM1
Diphenoxylate SCHEMBL20595320 0.88 OPRM1 (0.98) KCNA3OPRM1
Diphenoxylate SCHEMBL42124 0.88 OPRM1 (0.98) KCNA3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076717-A Derivatives of 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid G. D. SEARLE & CO. (US) 1978-02-28 — — US disclosed