SCHEMBL765568

SCHEMBL765568

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.37
BDKRB1 P46663 1/20 0.36
CARM1 Q86X55 3/20 0.35
PRMT6 Q96LA8 3/20 0.35
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
PSMB3 P49720 1/20 0.34
PSMB2 P49721 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
SCHEMBL765640 0.92 SCN9A (0.38) SCN9ABDKRB1CARM1PRMT6PSMB11
SCHEMBL764451 0.90 BDKRB1 (0.35) SCN9ABDKRB1CARM1PRMT6PSMB11
SCHEMBL765826 0.90 PSMB11 (0.36) SCN9ABDKRB1CARM1PRMT6PSMB11
SCHEMBL13166402 0.88 MAPT (0.34) SCN9ABDKRB1CARM1PRMT6POLB
SCHEMBL13904098 0.88 CACNA1B (0.34) SCN9ABDKRB1CARM1PRMT6PSMB11
SCHEMBL13165776 0.87 OPRL1 (0.35) SCN9ABDKRB1CARM1PRMT6POLB
SCHEMBL764477 0.87 L3MBTL1 (0.41) BDKRB1POLBTP53
SCHEMBL764500 0.87 BDKRB1 (0.43) SCN9ABDKRB1PSMB11PSMA7PSMB1
SCHEMBL13165725 0.87 CARM1 (0.34) SCN9ABDKRB1CARM1PRMT6UBE2M
SCHEMBL13165719 0.86 SCN9A (0.36) SCN9ABDKRB1CARM1PRMT6POLB

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