SCHEMBL5808802

SCHEMBL5808802

CC(C)C(NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.56
CNR2 P34972 10/20 0.56
UGCG Q16739 3/20 0.49

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
SCHEMBL5807932 0.77 UGCG (0.53) CNR1CNR2UGCG
SCHEMBL5811149 0.75 CNR1 (0.59) CNR1CNR2UGCG
SCHEMBL5806769 0.74 CNR2 (0.96) CNR1CNR2UGCG
SCHEMBL5811399 0.74 CNR1 (0.65) CNR1CNR2UGCG
SCHEMBL5812049 0.72 CNR1 (0.69) CNR1CNR2UGCG
SCHEMBL10479702 0.72 UGCG (0.55) CNR1CNR2UGCG
SCHEMBL5811315 0.71 CNR1 (0.55) CNR1CNR2UGCG
SCHEMBL5811700 0.70 CNR2 (0.61) CNR1CNR2UGCG
SCHEMBL10479436 0.67 UGCG (0.51) CNR1CNR2UGCG
SCHEMBL10479646 0.67 UGCG (0.51) CNR1CNR2UGCG

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
WO-2006030124-A1 CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2006-03-23 WO claimed