SCHEMBL4702176

SCHEMBL4702176

Cn1nc(OC(=O)NCCN2CCN(c3ccncc3)CC2)c(Br)c1NC(=O)c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.60
DRD2 P14416 1/20 0.44

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
SCHEMBL4703716 0.88 BDKRB1 (0.78) BDKRB1
SCHEMBL6045858 0.87 BDKRB1 (0.78) BDKRB1DRD2
SCHEMBL4702492 0.85 BDKRB1 (0.52) BDKRB1DRD2
SCHEMBL4706322 0.80 BDKRB1 (0.69) BDKRB1
SCHEMBL4705088 0.79 BDKRB1 (0.78) BDKRB1
SCHEMBL6045882 0.78 BDKRB1 (0.57) BDKRB1DRD2
SCHEMBL4702923 0.77 BDKRB1 (0.68) BDKRB1
SCHEMBL14507397 0.76 BDKRB1 (0.70) BDKRB1
SCHEMBL4704818 0.76 BDKRB1 (0.79) BDKRB1
SCHEMBL4704946 0.76 BDKRB1 (0.70) 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