SCHEMBL7590925

SCHEMBL7590925

O=[C]CCc1ccccc1I

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
IDO1 P14902 2/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
C1R P00736 1/20 0.33
MITF O75030 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KDM1A O60341 1/20 0.32
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
MAPK8 P45983 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL96182 0.84 TAAR1 (0.47) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL4222638 0.78 TAAR1 (0.54) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL27997934 0.78 TAAR1 (0.71) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL5163205 0.77 TAAR1 (0.52) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL9642112 0.77 TAAR1 (0.62) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL910690 0.76 GABRA1 (0.47) CYP2D6MITFGABRA1GABRB2
SCHEMBL7582784 0.75 IDO1 (0.31) IDO1
SCHEMBL5539227 0.74 TAAR1 (0.54) TAAR1IDO1CYP1A2GABRA1GABRB2
SCHEMBL5538107 0.74 TAAR1 (0.56) TAAR1IDO1
SCHEMBL910442 0.74 TAAR1 (0.54) TAAR1GABRA1GABRB2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796618-B1 Treatment and prophylaxis of pancreatitis SANKYO CO (JP) 2002-01-30 EP disclosed
WO-2000041690-A9 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM UNIV CALIFORNIA (US) 2001-10-11 WO disclosed
WO-2000041690-A1 USE OF THIAZOLIDINEDIONES TO AMELIORATE THE ADVERSE CONSEQUENCES OF MYOCARDIAL ISCHEMIA ON MYOCARDIAL FUNCTION AND METABOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-20 WO disclosed
US-5968960-A ANTIISCHEMIC AGENTS AND HYPOTENSIVE AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-10-19 US disclosed
US-5804590-A ADMINISTERING DERIVATIVES OF THIAZOLIDINE; ANTI-DIABETIC AGENTS. SANKYO COMPANY, LIMITED (JP) 1998-09-08 US disclosed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US disclosed
EP-0796618-A1 Treatment and prophylaxis of pancreatitis SANKYO COMPANY LIMITED (JP) 1997-09-24 EP disclosed
EP-0783888-A1 Use of troglitazone and related thiazolidinediones in the manufacture of a medicament for the treatment and prophylaxis of osteoporosis SANKYO COMPANY LIMITED (JP) 1997-07-16 EP disclosed