SCHEMBL1713172

SCHEMBL1713172

CCCCN1C(=O)C(NC(=O)Nc2ccc(N3CCN(c4ccncc4)CC3)cc2)N=C(CCc2ccccc2)c2ccccc21

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.91
CCKBR P32239 9/20 0.53

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
SCHEMBL2724253 0.95 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL3049609 0.95 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL13985117 0.91 BDKRB1 (0.91) BDKRB1CCKBR
SCHEMBL7593167 0.88 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL5802825 0.82 BDKRB1 (0.76) BDKRB1CCKBR
SCHEMBL5803296 0.81 BDKRB1 (0.74) BDKRB1CCKBR
SCHEMBL7603693 0.80 BDKRB1 (0.72) BDKRB1CCKBR
SCHEMBL1722850 0.76 BDKRB1 (0.70) BDKRB1CCKBR
SCHEMBL1722848 0.75 BDKRB1 (0.92) BDKRB1CCKBR
SCHEMBL9008722 0.74 BDKRB1 (0.88) BDKRB1CCKBR

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
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO claimed
EP-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 EP disclosed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO disclosed