SCHEMBL4601387

SCHEMBL4601387

Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)Cc4ccc(CC(=O)c5ccc(N)cc5)[nH]4)c3Cl)c2n1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.69

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
SCHEMBL4601828 0.82 BDKRB2 (1.00) BDKRB2
SCHEMBL17475450 0.82 BDKRB2 (0.80) BDKRB2
SCHEMBL4601391 0.82 BDKRB2 (1.00) BDKRB2
SCHEMBL5663232 0.81 BDKRB2 (0.67) BDKRB2
SCHEMBL8361810 0.81 BDKRB2 (0.66) BDKRB2
SCHEMBL8367806 0.80 BDKRB2 (0.68) BDKRB2
SCHEMBL8361816 0.78 BDKRB2 (0.68) BDKRB2
SCHEMBL8361694 0.77 BDKRB2 (0.79) BDKRB2
SCHEMBL7743013 0.77 BDKRB2 (0.77) BDKRB2
SCHEMBL8361812 0.77 BDKRB2 (0.67) BDKRB2

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-1914236-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators Ortho-McNeil Pharmaceutical, Inc. (US) 2008-04-23 EP disclosed