SCHEMBL7646407

SCHEMBL7646407

CCCCCCN1CCC(C)(c2ccc(NC(=O)CC)c(O)c2)C(C)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.47
OPRD1 P41143 3/20 0.47
OPRK1 P41145 2/20 0.44

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
SCHEMBL7646404 1.00 OPRM1 (0.47) OPRM1OPRD1OPRK1
SCHEMBL7649297 0.94 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL7646735 0.94 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL7649289 0.94 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL7646739 0.94 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL7648236 0.91 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL7648232 0.91 OPRM1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL7645635 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL7645632 0.90 OPRM1 (0.46) OPRM1OPRD1OPRK1
SCHEMBL7649640 0.89 OPRM1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479516-B1 TREATMENT OF PRURITIC DERMATOSES INCLUDING ALLERGIC DERMATITIS AND ATOPY IN ANIMALS AND HUMANS PFIZER INC 2002-11-12 US disclosed
EP-1072596-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed