SCHEMBL6935746

SCHEMBL6935746

C=CCN1C[C@@H](C)N([C@H](c2ccc(C(=O)O)cc2)c2cccc(O[Si](C)(C)C(C)(C)C)c2)C[C@@H]1C

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.77
OPRM1 P35372 5/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
LMNA P02545 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
CYP1A2 P05177 1/20 0.62
MAPT P10636 1/20 0.62
OPRK1 P41145 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
NFKB1 P19838 1/20 0.62

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
SCHEMBL9541531 1.00 OPRD1 (0.77) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL4576058 1.00 OPRD1 (0.77) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL6935570 1.00 OPRD1 (0.77) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL2750830 0.94 OPRD1 (0.68) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL2751381 0.94 OPRD1 (0.68) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL6934928 0.93 OPRD1 (0.66) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL6934931 0.93 OPRD1 (0.66) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL6652454 0.93 OPRD1 (0.79) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL4576323 0.93 OPRD1 (0.66) OPRD1OPRM1MEN1KMT2ACYP3A4
SCHEMBL5136413 0.90 CYP3A4 (0.79) OPRD1OPRM1MEN1KMT2ACYP3A4

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