SCHEMBL1123192

SCHEMBL1123192

O=C(NC(Cc1ccc(Br)cc1)C(=O)O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 13/20 0.63
PTPN1 P18031 2/20 0.57
CMKLR2 P46091 1/20 0.55
CMKLR1 Q99788 1/20 0.55
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
PPARG P37231 1/20 0.47
SMPD1 P17405 1/20 0.47
BAX Q07812 2/20 0.47

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
SCHEMBL1123228 0.93 GPR132 (0.60) GPR132PTPN1CMKLR2CMKLR1ITGB3
SCHEMBL1123437 0.89 PTPN1 (0.67) GPR132PTPN1ITGB3ITGA2BPPARG
SCHEMBL1123368 0.88 GPR132 (0.60) GPR132PTPN1CMKLR2CMKLR1ITGB3
SCHEMBL1123431 0.88 GPR132 (0.61) GPR132PTPN1CMKLR2CMKLR1ITGB3
SCHEMBL1122981 0.84 ITGB2 (0.52) GPR132PPARG
SCHEMBL1123378 0.84 GPR132 (0.57) GPR132PTPN1CMKLR2CMKLR1ITGB3
SCHEMBL1123050 0.81 PTPN1 (0.69) GPR132PTPN1ITGB3ITGA2B
SCHEMBL1122721 0.81 PTPN1 (0.68) GPR132PTPN1ITGB3ITGA2BPPARG
SCHEMBL1123282 0.80 PTPN1 (0.58) GPR132PTPN1CMKLR2CMKLR1ITGB3
SCHEMBL1123517 0.78 PTPN1 (0.64) GPR132PTPN1ITGB3ITGA2BPPARG

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed
CN-1835914-A New benzamides as PPAR[upsilon] modulators S A L V A T LAB SA (ES) 2006-09-20 CN disclosed