SCHEMBL1723744

SCHEMBL1723744

COC(=O)c1c(CNc2ccc(C(=O)N3CCN(c4ccncc4)CC3)cn2)cccc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.73

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
SCHEMBL1723742 0.86 BDKRB1 (0.65) BDKRB1
SCHEMBL1712831 0.85 BDKRB1 (1.00) BDKRB1
SCHEMBL1713333 0.80 BDKRB1 (0.68) BDKRB1
SCHEMBL1713332 0.80 BDKRB1 (0.76) BDKRB1
SCHEMBL3656201 0.79 BDKRB1 (0.76) BDKRB1
SCHEMBL3654087 0.74 BDKRB1 (0.67) BDKRB1
SCHEMBL14071802 0.73 BDKRB1 (1.00) BDKRB1
SCHEMBL3653969 0.71 CYP3A4 (0.52) BDKRB1
SCHEMBL13908817 0.70 BDKRB1 (0.50) BDKRB1
SCHEMBL13908534 0.70 BDKRB1 (0.50) 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-2344176-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT Jerini AG (DE) 2011-07-20 EP claimed