SCHEMBL14084875

SCHEMBL14084875

CN1CCCC[C@@H](NC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.51
KDM5A P29375 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14084890 0.97 BDKRB1 (0.52) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084891 0.91 BDKRB1 (0.47) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084914 0.90 BDKRB1 (0.47) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084907 0.89 BDKRB1 (0.46) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084923 0.88 KDM2B (0.48) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4704306 0.88 BDKRB1 (0.45) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084845 0.88 BDKRB1 (0.57) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4703545 0.88 RAB9A (0.50) BDKRB1CCNA2CDK2CCNA1NPC1
SCHEMBL14084911 0.86 KDM5A (0.47) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084974 0.85 BDKRB1 (0.53) BDKRB1RAB9AMEN1KMT2A

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
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed