SCHEMBL1722850

SCHEMBL1722850

CCCCN1C(=O)C(NC(=O)Nc2ccc(N3CCC(N(C)C)CC3)cc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.70
CCKBR P32239 11/20 0.56

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
SCHEMBL1722848 0.87 BDKRB1 (0.92) BDKRB1CCKBR
SCHEMBL14686169 0.79 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL2517392 0.79 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL9597535 0.77 CCKBR (0.72) CCKBR
SCHEMBL1713172 0.76 BDKRB1 (0.91) BDKRB1CCKBR
SCHEMBL7597135 0.75 CCKBR (0.58) BDKRB1CCKBR
SCHEMBL7597095 0.74 CCKBR (0.56) BDKRB1CCKBR
SCHEMBL7593227 0.74 BDKRB1 (0.82) BDKRB1CCKBR
SCHEMBL7586803 0.73 BDKRB1 (0.88) BDKRB1CCKBR
SCHEMBL6949426 0.73 CCKAR (0.76) CCKBR

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