SCHEMBL3654087

SCHEMBL3654087

O=C(O)c1ccc(CNc2ccc(C(=O)N3CCN(c4ccncc4)CC3)cn2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.67

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
SCHEMBL3656201 0.90 BDKRB1 (0.76) BDKRB1
SCHEMBL3814285 0.87 BDKRB1 (0.63) BDKRB1
SCHEMBL13908578 0.87 BDKRB1 (0.63) BDKRB1
SCHEMBL1712831 0.81 BDKRB1 (1.00) BDKRB1
SCHEMBL3653969 0.77 CYP3A4 (0.52) BDKRB1
SCHEMBL20236214 0.75 EPHX2 (0.47) BDKRB1
SCHEMBL13908812 0.75 BDKRB1 (0.52) BDKRB1
SCHEMBL1723742 0.74 BDKRB1 (0.65) BDKRB1
SCHEMBL1723744 0.74 BDKRB1 (0.73) BDKRB1
SCHEMBL1713332 0.74 BDKRB1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195288-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2010-06-16 EP disclosed
WO-2009036996-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2009-03-26 WO disclosed