SCHEMBL4701720

SCHEMBL4701720

CN1C[C@@H](NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C(=O)N(CC2CC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.39
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CRHR1 P34998 2/20 0.34
RIPK1 Q13546 1/20 0.33
SCN9A Q15858 2/20 0.33
XIAP P98170 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
SCHEMBL14084953 0.90 BDKRB1 (0.42) BDKRB1CCNA2CDK2CCNA1CRHR1
SCHEMBL4701105 0.89 CCKBR (0.40) BDKRB1CCNA2CDK2CCNA1RIPK1
SCHEMBL4702034 0.84 BDKRB1 (0.42) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4705613 0.83 BDKRB1 (0.43) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4703604 0.83 BDKRB1 (0.39) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4703537 0.81 BDKRB1 (0.44) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4701827 0.81 BDKRB1 (0.43) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4705710 0.80 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4702448 0.80 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1
SCHEMBL4790056 0.79 RIPK1 (0.45) RIPK1XIAP

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-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed