SCHEMBL4703372

SCHEMBL4703372

O=C(NCCC1CCN(c2ccncc2)CC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1F

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.68
CHRM2 P08172 2/20 0.41
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
SCHEMBL4705152 0.92 BDKRB1 (0.67) BDKRB1CHRM4
SCHEMBL4703544 0.91 BDKRB1 (0.68) BDKRB1
SCHEMBL4703909 0.91 BDKRB1 (0.68) BDKRB1CHRM4
SCHEMBL6045908 0.89 BDKRB1 (0.74) BDKRB1CHRM2CHRM4
SCHEMBL4705702 0.85 BDKRB1 (0.60) BDKRB1CHRM2CHRM4
SCHEMBL6045885 0.84 BDKRB1 (0.73) BDKRB1CHRM4
SCHEMBL4705398 0.83 BDKRB1 (0.59) BDKRB1
SCHEMBL6045889 0.83 BDKRB1 (0.74) BDKRB1
SCHEMBL6045874 0.83 BDKRB1 (0.74) BDKRB1CHRM4
SCHEMBL4789811 0.81 BDKRB1 (0.55) 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