SCHEMBL4703792

SCHEMBL4703792

CN1C(=O)C(NC(=O)Oc2n[nH]c(NC(=O)c3ccccc3Cl)c2Br)CC(C)(C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.40
BDKRB1 P46663 5/20 0.36
CCKBR P32239 4/20 0.36
CCKAR P32238 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL14084912 0.89 RIPK1 (0.43) RIPK1BDKRB1CCKBRCCKARTRPV1
SCHEMBL4701105 0.86 CCKBR (0.40) RIPK1BDKRB1CCKBRCCKARALDH1A1
SCHEMBL4705804 0.85 RIPK1 (0.37) RIPK1BDKRB1CCKBRCCKARALDH1A1
SCHEMBL4702545 0.84 RIPK1 (0.51) RIPK1CYP2C9
SCHEMBL4790858 0.82 RIPK1 (0.45) RIPK1BDKRB1CCKBRCCKARSMN1; SMN2
SCHEMBL4703604 0.80 BDKRB1 (0.39) BDKRB1CCKBRALDH1A1SMN1; SMN2MAPT
SCHEMBL4703537 0.80 BDKRB1 (0.44) BDKRB1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL4704026 0.79 PSEN1 (0.44) CCKBRCCKAR
SCHEMBL4702034 0.79 BDKRB1 (0.42) BDKRB1ALDH1A1SMN1; SMN2MAPTCCNA2
SCHEMBL4705613 0.79 BDKRB1 (0.43) BDKRB1ALDH1A1SMN1; SMN2MAPTCCNA2

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