SCHEMBL764451

SCHEMBL764451

COC(=O)CCC(=O)NC1(C(=O)NCc2ccc(Oc3ccc(C(C)O)cc3C(F)(F)F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.35
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
POLB P06746 2/20 0.33
SCN9A Q15858 1/20 0.33
KMT2A Q03164 2/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMA5 P28066 1/20 0.33
PSMB4 P28070 1/20 0.33
PSMB6 P28072 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB10 P40306 1/20 0.33

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
SCHEMBL765568 0.90 SCN9A (0.37) BDKRB1CARM1PRMT6POLBSCN9A
SCHEMBL765833 0.89 L3MBTL1 (0.40) BDKRB1POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL765640 0.89 SCN9A (0.38) BDKRB1CARM1PRMT6SCN9AKMT2A
SCHEMBL13904098 0.88 CACNA1B (0.34) BDKRB1CARM1PRMT6SCN9APSMB11
SCHEMBL765826 0.87 PSMB11 (0.36) BDKRB1CARM1PRMT6SCN9AKMT2A
SCHEMBL13166162 0.85 HPGD (0.34) MAPTALDH1A1
SCHEMBL13165593 0.85 MAPT (0.35) BDKRB1CARM1PRMT6POLBSCN9A
SCHEMBL13165776 0.84 OPRL1 (0.35) BDKRB1CARM1PRMT6POLBSCN9A
SCHEMBL13165790 0.84 MAPT (0.34) CARM1PRMT6SCN9AKMT2ACCR2
SCHEMBL764500 0.84 BDKRB1 (0.43) 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 2 patents. 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
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed