SCHEMBL4700940

SCHEMBL4700940

O=C(NC1CCCCNC1=O)Oc1[nH]nc(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.75
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL6046046 0.86 BDKRB1 (1.00) BDKRB1ALDH1A1KDM4E
SCHEMBL4705006 0.84 BDKRB1 (0.65) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL4705242 0.84 BDKRB1 (0.65) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL4701967 0.79 BDKRB1 (0.57) BDKRB1ALDH1A1KDM4E
SCHEMBL6045899 0.79 BDKRB1 (0.71) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL6045827 0.79 BDKRB1 (0.71) BDKRB1ALDH1A1KDM4ECCNA2CDK2
SCHEMBL4705179 0.78 BDKRB1 (0.56) BDKRB1ALDH1A1KDM4E
SCHEMBL4705164 0.74 BDKRB1 (0.51) BDKRB1ALDH1A1KDM4E
SCHEMBL14084995 0.73 BDKRB1 (0.63) BDKRB1ALDH1A1KDM4E
SCHEMBL14084773 0.72 BDKRB1 (0.61) BDKRB1ALDH1A1KDM4E

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