SCHEMBL6935960

SCHEMBL6935960

CCN(CC)C(=O)c1ccc(C(c2cccc(O[Si](C)(C)C(C)(C)C)c2)N2C[C@H](C)NC[C@@H]2C)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.56
OPRM1 P35372 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP1A2 P05177 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
MAPT P10636 1/20 0.54
OPRK1 P41145 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NFKB1 P19838 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
SCHEMBL2751545 0.88 OPRD1 (0.43) OPRD1OPRM1MEN1KMT2ALMNA
SCHEMBL6935970 0.88 CYP3A4 (0.63) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL5300451 0.87 OPRD1 (0.72) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL6935764 0.86 OPRD1 (0.42) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL6935766 0.86 OPRD1 (0.42) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL6935769 0.86 OPRD1 (0.42) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL6932938 0.86 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL6932934 0.86 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL4575871 0.85 CYP3A4 (0.78) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL4576004 0.84 OPRD1 (0.56) OPRD1OPRM1CYP3A4CYP1A2MEN1

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 5 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
EP-0649414-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1993015062-A1 OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-05 WO disclosed