SCHEMBL7384045

SCHEMBL7384045

CN1C2CCC1CC(N1C(=O)C(CC(N)=O)c3ccccc31)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.46
OPRK1 P41145 9/20 0.46
OPRL1 P41146 7/20 0.46
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRM3 P20309 2/20 0.41
CDC25A P30304 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL7377296 0.95 CHRNB4 (0.49) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL21179718 0.84 OPRM1 (0.53) OPRM1OPRK1OPRL1CDC25A
SCHEMBL15848582 0.81 OPRM1 (0.46) OPRM1OPRK1OPRL1CDC25A
SCHEMBL20229838 0.79 OPRM1 (0.76) OPRM1OPRK1OPRL1
SCHEMBL20212790 0.79 OPRM1 (0.76) OPRM1OPRK1OPRL1
SCHEMBL20229840 0.77 OPRM1 (0.71) OPRM1OPRK1OPRL1
SCHEMBL20213174 0.75 OPRM1 (0.54) OPRM1OPRK1OPRL1
SCHEMBL15848300 0.75 GPR119 (0.47) OPRM1OPRK1OPRL1
SCHEMBL20212793 0.75 OPRM1 (0.56) OPRM1OPRK1OPRL1
SCHEMBL23034899 0.74 OPRM1 (0.53) OPRM1OPRK1OPRL1

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-5192770-A Antiemetic, anxiolytic, cognition activator SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed
EP-0490263-A1 Alpha-oxoacetamide derivatives SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed