SCHEMBL1123378

SCHEMBL1123378

O=C(NC(Cc1ccccc1-c1ccccc1)C(=O)O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 16/20 0.57
CMKLR2 P46091 1/20 0.50
CMKLR1 Q99788 1/20 0.50
PTPN1 P18031 2/20 0.48
PTPN2 P17706 1/20 0.43
CDC25B P30305 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL1122913 0.90 PTPN1 (0.56) GPR132PTPN1PTPN2CDC25BITGB3
SCHEMBL1123431 0.85 GPR132 (0.61) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123228 0.84 GPR132 (0.60) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123192 0.84 GPR132 (0.63) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1123368 0.82 GPR132 (0.60) GPR132CMKLR2CMKLR1PTPN1ITGB3
SCHEMBL1122844 0.80 MEN1 (0.63) GPR132CMKLR2CMKLR1
SCHEMBL1122981 0.80 ITGB2 (0.52) GPR132
SCHEMBL1123282 0.77 PTPN1 (0.58) GPR132CMKLR2CMKLR1PTPN1PTPN2
SCHEMBL1123050 0.77 PTPN1 (0.69) GPR132PTPN1ITGB3ITGA2B
SCHEMBL5720732 0.75 NR4A2 (0.62)

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 1 patent. 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