SCHEMBL6184650

SCHEMBL6184650

Cn1nnc(-c2c(F)cccc2-c2ccc(CCNC(=O)OC(C)(C)C)c(F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.47
IDO1 P14902 1/20 0.42
NQO2 P16083 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38

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
SCHEMBL12476552 0.89 BDKRB1 (0.52) BDKRB1
SCHEMBL6183832 0.80 BDKRB1 (0.66) BDKRB1
Hydrochloric Acid SCHEMBL6183477 0.78 BDKRB1 (0.45) BDKRB1NPC1NFKB1RAB9ANFKB2
SCHEMBL6183824 0.74 BDKRB1 (0.81) BDKRB1
SCHEMBL23828903 0.74 NAMPT (0.49) SMN1; SMN2
SCHEMBL2943468 0.73 BDKRB1 (0.57) BDKRB1
SCHEMBL9947735 0.73 BDKRB1 (0.53) BDKRB1NQO2
SCHEMBL5370743 0.71 BDKRB1 (0.57) BDKRB1
SCHEMBL5855644 0.70 KCNA5 (0.49) NPC1RAB9A
SCHEMBL2942732 0.70 BDKRB1 (0.75) BDKRB1

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-1501787-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2003066577-A1 N-BIPHENYLMETHYL AMINOCYCLOALKANECARBOXAMIDE DERIVATIVES WITH A SUBSTIITUENT ON THE METHYL USEFUL AS BRADYKININ ANTAGONISTS MERCK & CO., INC. (US) 2003-08-14 WO disclosed