SCHEMBL11243544

SCHEMBL11243544

Cc1ccc(C2(N(C)C)CCC(C)(O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.65
OPRM1 P35372 15/20 0.65
OPRK1 P41145 6/20 0.65
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
OPRD1 P41143 2/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRND Q07001 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL8351738 0.88 OPRM1 (0.67) OPRL1OPRM1OPRK1
SCHEMBL11252499 0.83 OPRL1 (0.49) OPRL1OPRM1OPRK1SLC6A2SLC6A3
SCHEMBL8352749 0.79 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL8353443 0.79 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL11245467 0.79 OPRM1 (0.58) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3407450 0.76 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL27826334 0.75 OPRM1 (0.50) OPRL1OPRM1OPRK1
SCHEMBL25160799 0.73 OPRM1 (0.66) OPRL1OPRM1OPRK1
SCHEMBL11078629 0.73 OPRL1 (0.51) OPRL1OPRM1OPRK1
SCHEMBL3407452 0.73 OPRL1 (0.51) OPRL1OPRM1OPRK1

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-4366172-A ANALGESICS THE UPJOHN COMPANY (US) 1982-12-28 US disclosed