SCHEMBL1123228

SCHEMBL1123228

O=C(NC(Cc1cccc(Br)c1)C(=O)O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 14/20 0.60
CMKLR2 P46091 1/20 0.53
CMKLR1 Q99788 1/20 0.53
PTPN1 P18031 3/20 0.52
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PPARG P37231 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 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
SCHEMBL1123192 0.93 GPR132 (0.63) GPR132CMKLR2CMKLR1PTPN1PPARG
SCHEMBL1123431 0.90 GPR132 (0.61) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123368 0.84 GPR132 (0.60) GPR132CMKLR2CMKLR1PTPN1CTSL
SCHEMBL1122981 0.84 ITGB2 (0.52) GPR132PPARG
SCHEMBL1123378 0.84 GPR132 (0.57) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123282 0.82 PTPN1 (0.58) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123437 0.82 PTPN1 (0.67) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1123050 0.77 PTPN1 (0.69) GPR132PTPN1CTSBCTSSCTSK
SCHEMBL1122844 0.77 MEN1 (0.63) GPR132CMKLR2CMKLR1PPARG
SCHEMBL1122721 0.77 PTPN1 (0.68) GPR132PTPN1PPARGITGB3ITGA2B

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