SCHEMBL4555896

SCHEMBL4555896

CCC(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2C)s1.Cc1c(-c2nnc(C3CCC3)s2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL922160 0.90 CNR1 (0.52) CNR1CNR2
SCHEMBL925138 0.90 CNR1 (0.50) CNR1
SCHEMBL922814 0.85 CNR1 (0.58) CNR1CNR2
SCHEMBL922775 0.85 CNR1 (0.56) CNR1
SCHEMBL4556305 0.85 CNR2 (0.53) CNR1CNR2
SCHEMBL924955 0.84 CNR1 (0.49) CNR1CNR2
SCHEMBL923186 0.84 CNR1 (0.47) CNR1
SCHEMBL922657 0.83 CNR2 (0.59) CNR1CNR2
SCHEMBL923184 0.83 CNR2 (0.61) CNR1CNR2
SCHEMBL925220 0.83 CNR2 (0.61) CNR1CNR2

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