SCHEMBL4705804

SCHEMBL4705804

CC1CC(NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)C(=O)N(C)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.37
BDKRB1 P46663 6/20 0.37
CCKBR P32239 4/20 0.37
CCKAR P32238 3/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6045945 0.89 RIPK1 (0.41) RIPK1BDKRB1CCKBRCCKAR
SCHEMBL4701105 0.87 CCKBR (0.40) RIPK1BDKRB1CCKBRCCKARCCNA2
SCHEMBL4702545 0.85 RIPK1 (0.51) RIPK1CYP2C9
SCHEMBL4703792 0.85 RIPK1 (0.40) RIPK1BDKRB1CCKBRCCKARCCNA2
SCHEMBL4704026 0.83 PSEN1 (0.44) CCKBRCCKAR
SCHEMBL4790858 0.83 RIPK1 (0.45) RIPK1BDKRB1CCKBRCCKARCCNA2
SCHEMBL4703537 0.81 BDKRB1 (0.44) BDKRB1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL4702034 0.80 BDKRB1 (0.42) BDKRB1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL4705613 0.80 BDKRB1 (0.43) BDKRB1CCNA2CDK2CCNA1ALDH1A1
SCHEMBL4702448 0.80 BDKRB1 (0.46) BDKRB1CCNA2CDK2CCNA1ALDH1A1

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