SCHEMBL4754570

SCHEMBL4754570

CCC1(c2cccc(NS(C)(=O)=O)c2)C2CN(C(C)C3(O)CC(c4ccccc4)C3)CC21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.58
KCNH2 Q12809 3/20 0.57
OPRD1 P41143 2/20 0.57
OPRK1 P41145 2/20 0.57
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4697675 0.84 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4697672 0.84 OPRM1 (0.75) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4754572 0.83 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4754571 0.83 OPRM1 (0.66) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5490518 0.80 OPRM1 (0.65) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5486420 0.76 KCNH2 (0.74) OPRM1KCNH2OPRD1OPRK1
SCHEMBL5486421 0.76 KCNH2 (0.74) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4698408 0.75 OPRM1 (0.74) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4702786 0.75 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1
SCHEMBL4702787 0.75 OPRM1 (0.57) OPRM1KCNH2OPRD1OPRK1

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
EP-1440059-B1 3-AZABICYCLO(3.1.0)HEXANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2008-04-16 EP disclosed