SCHEMBL10397000

SCHEMBL10397000

CCC(=O)N(c1ccccc1)C1(c2ccccc2)CCN(CCc2ccsc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.55
OPRD1 P41143 7/20 0.55
OPRK1 P41145 6/20 0.55
SLC22A1 O15245 1/20 0.50
ABCB1 P08183 1/20 0.50

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
SCHEMBL6963035 0.88 OPRM1 (0.68) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL9371880 0.84 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL9466385 0.83 OPRM1 (0.80) OPRM1OPRD1OPRK1
SCHEMBL9466353 0.83 OPRM1 (0.80) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL10398382 0.83 OPRM1 (0.71) OPRM1OPRD1OPRK1SLC22A1ABCB1
Oxalic Acid SCHEMBL6045520 0.78 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL9786448 0.76 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL10460790 0.76 OPRD1 (0.71) OPRM1OPRD1OPRK1
SCHEMBL10478955 0.75 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1ABCB1
SCHEMBL3303683 0.74 OPRM1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4921864-A 4-Phenyl-4-(N-(phenyl)amido) piperidine derivatives and pharmaceutical compositions and method employing such compounds BOC, INC. (US) 1990-05-01 US claimed