SCHEMBL4790418

SCHEMBL4790418

O=C(NCCC1CCN(C(=O)Cc2ccncc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.53
ALDH1A1 P00352 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
SCHEMBL4700926 0.90 BDKRB1 (0.55) BDKRB1
SCHEMBL4789811 0.90 BDKRB1 (0.55) BDKRB1
SCHEMBL6045840 0.90 BDKRB1 (0.57) BDKRB1
SCHEMBL4789665 0.88 BDKRB1 (0.53) BDKRB1
SCHEMBL4788391 0.88 BDKRB1 (0.42) BDKRB1ALDH1A1
SCHEMBL4703544 0.88 BDKRB1 (0.68) BDKRB1
SCHEMBL4703690 0.85 BDKRB1 (0.66) BDKRB1
SCHEMBL4706326 0.85 BDKRB1 (0.53) BDKRB1
SCHEMBL4700932 0.84 BDKRB1 (0.51) BDKRB1
SCHEMBL4705555 0.84 BDKRB1 (0.54) BDKRB1

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