SCHEMBL4704249

SCHEMBL4704249

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.68
CCKBR P32239 14/20 0.65
CCKAR P32238 9/20 0.50

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
SCHEMBL4705743 0.92 CCKBR (0.67) BDKRB1CCKBRCCKAR
SCHEMBL4704027 0.92 CCKBR (0.67) BDKRB1CCKBRCCKAR
SCHEMBL4704031 0.92 CCKBR (0.67) BDKRB1CCKBRCCKAR
SCHEMBL4704894 0.91 CCKBR (0.65) BDKRB1CCKBRCCKAR
SCHEMBL4790611 0.91 CCKBR (0.65) BDKRB1CCKBRCCKAR
SCHEMBL6046024 0.89 BDKRB1 (0.74) BDKRB1CCKBRCCKAR
SCHEMBL4703546 0.85 CCKBR (0.57) BDKRB1CCKBRCCKAR
SCHEMBL4704722 0.84 CCKBR (0.53) BDKRB1CCKBRCCKAR
SCHEMBL4704015 0.84 CCKBR (0.62) BDKRB1CCKBRCCKAR
SCHEMBL4706677 0.84 CCKBR (0.65) CCKBRCCKAR

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