SCHEMBL4700932

SCHEMBL4700932

O=C(NCCC1CCNCC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.51
CHRM1 P11229 1/20 0.43
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
CCNA2 P20248 1/20 0.39

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
SCHEMBL4703690 0.89 BDKRB1 (0.66) BDKRB1
SCHEMBL4705702 0.88 BDKRB1 (0.60) BDKRB1
SCHEMBL4705080 0.87 BDKRB1 (0.56) BDKRB1CHRM1CDK2CCNA1
SCHEMBL4705555 0.86 BDKRB1 (0.54) BDKRB1
SCHEMBL4706326 0.85 BDKRB1 (0.53) BDKRB1
SCHEMBL4703544 0.85 BDKRB1 (0.68) BDKRB1
SCHEMBL4790592 0.85 BDKRB1 (0.68) BDKRB1
SCHEMBL4706230 0.85 CDK2 (0.48) BDKRB1CDK2CCNA1CCNA2
SCHEMBL4702132 0.85 BDKRB1 (0.54) BDKRB1
SCHEMBL4789811 0.85 BDKRB1 (0.55) 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 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