SCHEMBL6935764

SCHEMBL6935764

CCN(CC)C(=O)c1ccc(C(c2cc(O[Si](C)(C)C(C)(C)C)ccc2F)N2C[C@@H](C)NC[C@@H]2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.42
OPRM1 P35372 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6935766 1.00 OPRD1 (0.42) OPRD1OPRM1CYP1A2CYP3A4MEN1
SCHEMBL6935769 1.00 OPRD1 (0.42) OPRD1OPRM1CYP1A2CYP3A4MEN1
SCHEMBL6935960 0.86 OPRD1 (0.56) OPRD1OPRM1CYP1A2CYP3A4MEN1
SCHEMBL6937850 0.84 CYP3A4 (0.61) OPRD1OPRM1CYP1A2CYP3A4MEN1
SCHEMBL6937847 0.84 CYP3A4 (0.61) OPRD1OPRM1CYP1A2CYP3A4MEN1
SCHEMBL6937843 0.84 CYP3A4 (0.61) OPRD1OPRM1CYP1A2CYP3A4MEN1
SCHEMBL6935563 0.79 CNR2 (0.40) OPRD1OPRM1LMNAMAPT
SCHEMBL12017981 0.74 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4OPRK1
SCHEMBL4577098 0.74 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4OPRK1
SCHEMBL6935970 0.74 CYP3A4 (0.63) OPRD1OPRM1CYP1A2CYP3A4MEN1

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 3 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
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