SCHEMBL4555937

SCHEMBL4555937

CCC(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2Br)s1.Clc1ccc(-c2c(Br)c(-c3nnc(C4CCC4)o3)nn2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46

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
SCHEMBL925118 0.86 CNR2 (0.56) CNR2
SCHEMBL922895 0.86 CNR2 (0.50) CNR2
SCHEMBL922840 0.83 CNR2 (0.58) CNR2
SCHEMBL923430 0.79 CNR2 (0.68) CNR2
SCHEMBL923234 0.79 CNR2 (0.68) CNR2
SCHEMBL925215 0.79 CNR2 (0.55) CNR2
SCHEMBL923778 0.78 CNR1 (0.48) CNR2
SCHEMBL4556305 0.78 CNR2 (0.53) CNR2
SCHEMBL924101 0.78 CNR2 (0.66) CNR2
SCHEMBL922775 0.78 CNR1 (0.56)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097410-A1 HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS Green Cross Corporation (KR) 2009-09-09 EP disclosed
WO-2008039023-A1 HETEROARYL-PYRAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2008-04-03 WO disclosed