SCHEMBL6935776

SCHEMBL6935776

C=CCN1CCN(C(c2ccc(C(C)=O)cc2)c2cccc(O)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.66
OPRM1 P35372 1/20 0.61
OPRK1 P41145 1/20 0.61

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
SCHEMBL2752684 1.00 OPRD1 (0.66) OPRD1OPRM1OPRK1
SCHEMBL252534 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1
SCHEMBL15764534 0.88 OPRD1 (0.81) OPRD1OPRM1OPRK1
SCHEMBL17283187 0.84 OPRD1 (0.63) OPRD1OPRM1OPRK1
SCHEMBL2752754 0.83 OPRD1 (0.55) OPRD1OPRM1OPRK1
SCHEMBL2751728 0.83 OPRD1 (0.72) OPRD1OPRM1OPRK1
SCHEMBL6939013 0.81 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL2751505 0.80 OPRD1 (0.60) OPRD1OPRM1OPRK1
SCHEMBL2751538 0.80 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL2751503 0.80 OPRD1 (0.62) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649414-B1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES ARDENT PHARMACEUTICALS INC (US) 2003-04-16 EP disclosed
US-5854249-A Opioid diarylmethylpiperazines and piperidines DELTA PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
US-5658908-A RECEPTOR BINDING SPECIES FOR MEDIATING ANALGESIA, COMBATTING DRUG ADDICTION, DRUG OVERDOSE DELTA PHARMACEUTICALS, INC. (US) 1997-08-19 US disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 WO disclosed