SCHEMBL5852064

SCHEMBL5852064

CCC1(c2ccccc2O)C2CN(CC3(O)Cc4ccccc4C3)CC21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.57
OPRD1 P41143 7/20 0.57
OPRK1 P41145 5/20 0.57
KCNH2 Q12809 4/20 0.57

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
SCHEMBL5852066 0.82 OPRM1 (0.63) OPRM1OPRD1OPRK1KCNH2
SCHEMBL4698472 0.80 OPRM1 (0.72) OPRM1OPRD1OPRK1KCNH2
SCHEMBL16748951 0.77 OPRM1 (0.74) OPRM1OPRD1OPRK1KCNH2
SCHEMBL4698578 0.76 OPRM1 (0.74) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5463962 0.76 OPRM1 (0.68) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5463968 0.74 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNH2
SCHEMBL18091489 0.74 OPRM1 (0.65) OPRM1OPRD1OPRK1KCNH2
SCHEMBL18091488 0.74 OPRM1 (0.65) OPRM1OPRD1OPRK1KCNH2
Cp-866087 SCHEMBL16292952 0.73 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNH2
Cp-866087 SCHEMBL4697312 0.73 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNH2

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