SCHEMBL764440

SCHEMBL764440

CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)c4nccs4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BDKRB1 P46663 2/20 0.36
SCN9A Q15858 3/20 0.36
SCN3A Q9NY46 3/20 0.34
DDR2 Q16832 2/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMA5 P28066 1/20 0.34
PSMB4 P28070 1/20 0.34
PSMB6 P28072 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB10 P40306 1/20 0.34

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
SCHEMBL764475 0.89 P2RX7 (0.40) SCDBDKRB1SCN3A
SCHEMBL764456 0.85 SCD (0.45) SCDBDKRB1SCN3A
SCHEMBL765827 0.85 BDKRB1 (0.39) BDKRB1SCN9ADDR2PSMB11PSMA7
SCHEMBL765640 0.85 SCN9A (0.38) BDKRB1SCN9ADDR2PSMB11PSMA7
SCHEMBL13904206 0.85 BDKRB1 (0.39) BDKRB1SCN9ADDR2PSMB11PSMA7
SCHEMBL764434 0.85 DDR2 (0.38) KDM4EBDKRB1SCN9ADDR2PSMB11
SCHEMBL765174 0.85 DDR2 (0.38) BDKRB1SCN9ADDR2PSMB11PSMA7
SCHEMBL10121197 0.84 DDR2 (0.41) BDKRB1DDR2
SCHEMBL764500 0.84 BDKRB1 (0.43) BDKRB1SCN9APSMB11PSMA7PSMB1
SCHEMBL764425 0.83 BDKRB1 (0.48) BDKRB1SCN9APSMB11PSMA7PSMB1

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-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed