SCHEMBL6935213

SCHEMBL6935213

CC1CN(C(c2ccccc2)c2cccc(O)c2)C(C)CN1CCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 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
SCHEMBL6935216 1.00 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL6933161 0.88 CYP1A2 (0.56) OPRM1OPRD1OPRK1
SCHEMBL6933166 0.88 CYP1A2 (0.56) OPRM1OPRD1OPRK1
SCHEMBL6932992 0.87 CYP1A2 (0.73) OPRM1OPRD1OPRK1
SCHEMBL6932989 0.87 CYP1A2 (0.73) OPRM1OPRD1OPRK1
SCHEMBL6935938 0.86 OPRD1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL6935942 0.86 OPRD1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL6937064 0.83 CYP1A2 (0.57) OPRM1OPRD1OPRK1
SCHEMBL6937062 0.83 CYP1A2 (0.57) OPRM1OPRD1OPRK1
SCHEMBL6935573 0.82 OPRD1 (0.80) OPRM1OPRD1OPRK1

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