SCHEMBL3666824

SCHEMBL3666824

O=C(NC1CCN(C(=O)O)C1)c1cc2cc(OC3CCN(Cc4ccc(Cl)cc4)CC3)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.51
ACHE P22303 3/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DRD4 P21917 1/20 0.46
MCHR1 Q99705 6/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATF4 P18848 1/20 0.45
KCNH2 Q12809 3/20 0.44

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
SCHEMBL647657 0.90 ACHE (0.59) UTS2RACHEMAOBMAPTMAPK1
SCHEMBL649805 0.89 UTS2R (0.49) UTS2RACHEMAOBMAOAMAPT
SCHEMBL649806 0.89 UTS2R (0.49) UTS2RACHEMAOBMAOAMAPT
SCHEMBL647034 0.88 UTS2R (0.53) UTS2RACHEMAOBMAOAMAPT
SCHEMBL647035 0.88 UTS2R (0.53) UTS2RACHEMAOBMAOAMAPT
SCHEMBL650882 0.87 MAOB (0.51) UTS2RACHEMAOBMAOAMAPT
SCHEMBL648203 0.84 UTS2R (0.51) UTS2RACHEMAOBMAOAMAPT
SCHEMBL648204 0.84 UTS2R (0.51) UTS2RACHEMAOBMAOAMAPT
SCHEMBL648180 0.84 MAOA (0.50) UTS2RACHEMAOBMAOAMAPT
SCHEMBL648181 0.84 MAOA (0.50) UTS2RACHEMAOBMAOAMAPT

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-2231600-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2010-09-29 EP claimed
WO-2009065131-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-22 WO claimed