SCHEMBL4701038

SCHEMBL4701038

Cc1c(OC(=O)NCCC2CCN(c3ccncc3)CC2)nn(-c2ccncc2)c1NC(=O)c1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.66
CHRM4 P08173 2/20 0.38
NTRK1 P04629 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
SCHEMBL4700827 0.98 BDKRB1 (0.69) BDKRB1CHRM4NTRK1
SCHEMBL4702578 0.96 BDKRB1 (0.62) BDKRB1CHRM4NTRK1
SCHEMBL4706211 0.94 BDKRB1 (0.60) BDKRB1CHRM4
SCHEMBL4704018 0.93 BDKRB1 (0.61) BDKRB1NTRK1
SCHEMBL4706219 0.93 BDKRB1 (0.70) BDKRB1CHRM4
SCHEMBL4706322 0.92 BDKRB1 (0.69) BDKRB1CHRM4
SCHEMBL4706639 0.92 BDKRB1 (0.64) BDKRB1CHRM4
SCHEMBL4702159 0.91 BDKRB1 (0.61) BDKRB1CHRM4
SCHEMBL4705088 0.89 BDKRB1 (0.78) BDKRB1CHRM4
SCHEMBL4702974 0.89 BDKRB1 (0.56) 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