SCHEMBL2117494

SCHEMBL2117494

O=c1c2c(ncn2-c2cc(Cl)cc(Cl)c2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.44
CNR2 P34972 13/20 0.44
KMT2A Q03164 1/20 0.42
OPRL1 P41146 1/20 0.41
KCNH2 Q12809 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
SCHEMBL1753267 0.92 CNR1 (0.44) CNR1CNR2KMT2AOPRL1KCNH2
SCHEMBL1753272 0.91 CNR1 (0.41) CNR1CNR2KMT2AOPRL1KCNH2
SCHEMBL1753184 0.91 KDM4E (0.43) CNR1CNR2KMT2AOPRL1KCNH2
SCHEMBL1689160 0.91 CNR1 (0.43) CNR1CNR2KMT2AOPRL1KCNH2
SCHEMBL1753254 0.89 CNR1 (0.43) CNR1CNR2KMT2AOPRL1KCNH2
SCHEMBL1753450 0.88 CNR1 (0.45) CNR1CNR2KMT2AOPRL1
SCHEMBL1689275 0.87 CNR1 (0.40) CNR1CNR2KMT2AOPRL1KCNH2
SCHEMBL1753304 0.87 CNR1 (0.45) CNR1CNR2KMT2AOPRL1KCNH2
SCHEMBL1753616 0.87 CNR1 (0.42) CNR1CNR2OPRL1KCNH2
SCHEMBL1689142 0.87 GRM1 (0.42) CNR1CNR2KMT2A

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-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed