SCHEMBL11245467

SCHEMBL11245467

C#CC1(O)CCC(c2ccc(C)cc2)(N(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.58
OPRL1 P41146 17/20 0.58
OPRK1 P41145 7/20 0.58
OPRD1 P41143 2/20 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 0.82 OPRM1 (0.67) OPRM1OPRL1OPRK1
SCHEMBL11243544 0.79 OPRL1 (0.65) OPRM1OPRL1OPRK1OPRD1
SCHEMBL8353443 0.74 OPRL1 (0.58) OPRM1OPRL1OPRK1
SCHEMBL8352749 0.74 OPRL1 (0.58) OPRM1OPRL1OPRK1
SCHEMBL8350807 0.71 PYCR1 (0.46) OPRM1OPRL1OPRK1
SCHEMBL3407450 0.71 OPRL1 (0.54) OPRM1OPRL1OPRK1
SCHEMBL25160799 0.68 OPRM1 (0.66) OPRM1OPRL1OPRK1
SCHEMBL11078629 0.68 OPRL1 (0.51) OPRM1OPRL1OPRK1
SCHEMBL3407452 0.68 OPRL1 (0.51) OPRM1OPRL1OPRK1
SCHEMBL20694433 0.68 ADRB1 (0.46)

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