SCHEMBL4704907

SCHEMBL4704907

Cn1nc(NC(=O)c2ccccc2Cl)c(Br)c1OC(=O)NCCC1CCN(c2ccncc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 18/20 0.78
F10 P00742 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL6045810 0.88 BDKRB1 (1.00) BDKRB1
SCHEMBL4703716 0.86 BDKRB1 (0.78) BDKRB1F10
SCHEMBL4702467 0.84 BDKRB1 (0.65) BDKRB1F10
SCHEMBL4702570 0.84 BDKRB1 (0.65) BDKRB1
SCHEMBL4706322 0.82 BDKRB1 (0.69) BDKRB1CHRM4
SCHEMBL6047131 0.81 BDKRB1 (1.00) BDKRB1CHRM4
SCHEMBL4705088 0.81 BDKRB1 (0.78) BDKRB1CHRM4
SCHEMBL4703544 0.81 BDKRB1 (0.68) BDKRB1
SCHEMBL4701038 0.79 BDKRB1 (0.66) BDKRB1CHRM4
SCHEMBL4702923 0.79 BDKRB1 (0.68) BDKRB1F10CHRM4

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