SCHEMBL3265780

SCHEMBL3265780

CC(=O)[CH]C(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
MAOB P27338 5/20 0.49
MAOA P21397 2/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CYP1B1 Q16678 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3656072 0.78 CES2 (0.50) MAPTCYP1A2HPGDALOX12CYP2C19
SCHEMBL10544046 0.78 NPC1 (0.53) MAPTCYP1A2HPGDALOX12CYP2C19
SCHEMBL2915596 0.77 CYP1A2 (0.57) MAPTCYP1A2HPGDALOX12CYP2C19
SCHEMBL9395656 0.77 ALDH1A1 (0.56) MAPTHPGDCES2CES1MAOB
SCHEMBL11822738 0.77 ALDH1A1 (0.53) MAPTCYP1A2HPGDALOX12CYP2C19
SCHEMBL11822730 0.77 ALDH1A1 (0.53) MAPTCYP1A2HPGDALOX12CYP2C19
SCHEMBL6998661 0.77 MAPT (0.67) MAPTCYP1A2HPGDALOX12CYP2C19
SCHEMBL6998663 0.77 MAPT (0.67) MAPTCYP1A2HPGDALOX12CYP2C19
Bromide SCHEMBL11813070 0.75 ALDH1A1 (0.51) MAPTCYP1A2HPGDALOX12CYP2C19
SCHEMBL3188558 0.75 ALDH1A1 (0.51) MAPTCYP1A2HPGDALOX12CYP2C19

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-1878723-B1 N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide derivatives antagonists of the CB1 cannabinoids receptors SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
EP-1878723-A1 N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide derivatives antagonists of the CB1 cannabinoids receptors Sanofi-Aventis (FR) 2008-01-16 EP disclosed