SCHEMBL5852066

SCHEMBL5852066

CCC1(c2ccc(O)cc2)C2CN(CC3(O)Cc4ccccc4C3)CC21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.63
KCNH2 Q12809 4/20 0.63
OPRD1 P41143 3/20 0.63
OPRK1 P41145 3/20 0.63
GRIN2B Q13224 3/20 0.32

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
SCHEMBL4698472 0.87 OPRM1 (0.72) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5852064 0.82 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4698578 0.81 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1
SCHEMBL18091489 0.78 OPRM1 (0.65) OPRM1KCNH2OPRD1OPRK1
SCHEMBL18091488 0.78 OPRM1 (0.65) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4698127 0.78 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4700444 0.75 OPRM1 (0.85) OPRM1KCNH2OPRD1OPRK1
Cp-866087 SCHEMBL16292952 0.75 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
Cp-866087 SCHEMBL4697312 0.75 OPRM1 (1.00) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4697868 0.75 OPRM1 (0.77) OPRM1KCNH2OPRD1OPRK1GRIN2B

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-7049335-B2 3-azabicyclo[3.1.0]hexane derivatives PFIZER INC. (US) 2006-05-23 US claimed