SCHEMBL5811246

SCHEMBL5811246

CC(C)(C)CC(C)(C)NC(=O)c1nn(-c2ccc3ccccc3c2)c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
CNR1 P21554 1/20 0.43
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
GRIA2 P42262 8/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 4/20 0.39
RIPK2 O43353 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL5810507 0.87 CNR2 (0.43) CNR2CNR1CYP1A2CYP2C19CYP2D6
SCHEMBL5811776 0.75 CNR2 (0.75) CNR2CNR1
SCHEMBL5811121 0.72 UGCG (0.46) CNR2CNR1
SCHEMBL20604140 0.65 WNT3A (0.56)
SCHEMBL5807932 0.65 UGCG (0.53) CNR2CNR1
SCHEMBL31650936 0.64 POLB (0.54) CNR2ALDH1A1TP53MAPTHPGD
SCHEMBL14662754 0.64 PTGS2 (0.60) CYP1A2CYP2C19GRIA2ALDH1A1HPGD
SCHEMBL20604115 0.63 WNT3A (0.56)
SCHEMBL21246814 0.61 POLB (0.50) CNR2CNR1ALDH1A1TP53MAPT
SCHEMBL5812038 0.61 CNR2 (0.51) 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 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 disclosed