SCHEMBL5795556

SCHEMBL5795556

CC(C)c1ccc(-n2nc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3c2CCCC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.72
CNR1 P21554 6/20 0.72
GRIA2 P42262 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 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
SCHEMBL5795272 0.86 CNR2 (0.69) CNR2CNR1CYP1A2CYP2D6CYP2C19
SCHEMBL5822464 0.84 CNR2 (0.85) CNR2CNR1
SCHEMBL5811776 0.84 CNR2 (0.75) CNR2CNR1
SCHEMBL5823767 0.82 CNR2 (0.75) CNR2CNR1GRIA2CYP2C9
SCHEMBL5806769 0.82 CNR2 (0.96) CNR2CNR1
SCHEMBL13871533 0.79 CNR2 (0.55) CNR2CNR1
SCHEMBL14003108 0.77 CNR2 (0.71) CNR2CNR1
SCHEMBL5808093 0.75 CNR2 (0.60) CNR2CNR1
SCHEMBL29204463 0.75 CNR2 (0.44) CNR2CNR1CYP1A2CYP2C9CYP2C19
SCHEMBL5808694 0.73 CNR2 (0.68) CNR2CNR1

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