SCHEMBL1722930

SCHEMBL1722930

O=C(Nc1c(Br)c(C(=O)NCCC2CCN(c3ccncc3)CC2)nn1-c1ccccc1)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 1.00
CHRM4 P08173 1/20 0.43
CHRM2 P08172 1/20 0.40

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
SCHEMBL6045936 0.94 BDKRB1 (0.88) BDKRB1CHRM4
SCHEMBL6046044 0.93 BDKRB1 (0.86) BDKRB1CHRM4
SCHEMBL6046018 0.92 BDKRB1 (1.00) BDKRB1CHRM4
SCHEMBL6046189 0.91 BDKRB1 (1.00) BDKRB1
SCHEMBL6046155 0.91 BDKRB1 (0.82) BDKRB1CHRM4CHRM2
SCHEMBL6045867 0.91 BDKRB1 (0.83) BDKRB1CHRM4CHRM2
SCHEMBL14085030 0.91 BDKRB1 (0.83) BDKRB1CHRM4CHRM2
SCHEMBL6047131 0.90 BDKRB1 (1.00) BDKRB1CHRM4
SCHEMBL5820999 0.89 BDKRB1 (0.80) BDKRB1CHRM4
SCHEMBL4705088 0.88 BDKRB1 (0.78) BDKRB1CHRM4CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 EP claimed
EP-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 EP disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed