SCHEMBL1122704

SCHEMBL1122704

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1ccc(OCCN(Cc2ccccc2)C(=O)c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 14/20 0.68
CMKLR2 P46091 1/20 0.58
CMKLR1 Q99788 1/20 0.58
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PTPN1 P18031 3/20 0.50
PPARG P37231 1/20 0.49
RAB9A P51151 1/20 0.48

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
SCHEMBL1123011 0.92 GPR132 (0.59) GPR132CMKLR2CMKLR1ITGB3ITGA2B
SCHEMBL1123016 0.83 RAB9A (0.51) GPR132RAB9A
SCHEMBL27638089 0.83 GPR132 (0.61) GPR132CMKLR2CMKLR1ITGB3ITGA2B
SCHEMBL1122721 0.82 PTPN1 (0.68) GPR132ITGB3ITGA2BPTPN1PPARG
SCHEMBL4645625 0.81 PPARG (0.65) PPARG
SCHEMBL4645614 0.81 PPARG (0.65) PPARG
SCHEMBL5936689 0.80 GAA (0.52) RAB9A
SCHEMBL1123014 0.80 RAB9A (0.47) RAB9A
SCHEMBL6182299 0.79 GPR132 (0.77) GPR132CMKLR2CMKLR1ITGB3ITGA2B
SCHEMBL1123033 0.79 GPR132 (0.77) GPR132ITGB3ITGA2BPTPN1PPARG

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