SCHEMBL4700867

SCHEMBL4700867

CN1CCCC(NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.46
KDM5A P29375 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
CHEK1 O14757 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
DRD4 P21917 1/20 0.38
SLC6A2 P23975 1/20 0.38
KCNH2 Q12809 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
SCHEMBL4704306 0.97 BDKRB1 (0.45) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4705774 0.90 BDKRB1 (0.50) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084890 0.88 BDKRB1 (0.52) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4703830 0.88 BDKRB1 (0.44) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4790284 0.88 ITGB1 (0.49) BDKRB1CCNA2CDK2CCNA1ITGB1
SCHEMBL4705484 0.87 BDKRB1 (0.41) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4701074 0.86 KDM2B (0.44) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL14084875 0.85 BDKRB1 (0.51) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4702034 0.85 BDKRB1 (0.42) BDKRB1KDM5ACCNA2CDK2CCNA1
SCHEMBL4700796 0.85 BDKRB1 (0.42) BDKRB1CCNA2CDK2CCNA1

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