SCHEMBL5811149

SCHEMBL5811149

CCC(C)(C)NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.59
CNR2 P34972 16/20 0.59
UGCG Q16739 2/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL5811399 0.78 CNR1 (0.65) CNR1CNR2UGCG
SCHEMBL5810507 0.78 CNR2 (0.43) CNR1CNR2UGCGCYP1A2CYP2D6
SCHEMBL5811121 0.77 UGCG (0.46) CNR1CNR2UGCG
SCHEMBL5811700 0.76 CNR2 (0.61) CNR1CNR2UGCG
SCHEMBL10479702 0.76 UGCG (0.55) CNR1CNR2UGCG
SCHEMBL5811246 0.76 CNR2 (0.43) CNR1CNR2CYP1A2CYP2D6CYP2C19
SCHEMBL5807932 0.75 UGCG (0.53) CNR1CNR2UGCG
SCHEMBL5808802 0.75 CNR1 (0.56) CNR1CNR2UGCG
SCHEMBL5812049 0.74 CNR1 (0.69) CNR1CNR2UGCG
SCHEMBL5822513 0.74 SMN1; SMN2 (0.48) 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 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