SCHEMBL6576248

SCHEMBL6576248

COc1c(N(C)C(=O)CN)ccc(SC)c1COc1cccc2ccc(C)nc12

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 9/20 0.52

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
SCHEMBL6578778 0.90 BDKRB2 (0.62) BDKRB2
SCHEMBL6581342 0.88 BDKRB2 (0.56) BDKRB2
SCHEMBL6578649 0.85 BDKRB2 (0.51) BDKRB2
SCHEMBL6580633 0.82 BDKRB2 (0.55) BDKRB2
SCHEMBL6580497 0.82 BDKRB2 (0.57) BDKRB2
SCHEMBL6578355 0.81 BDKRB2 (0.61) BDKRB2
SCHEMBL5663232 0.80 BDKRB2 (0.67) BDKRB2
SCHEMBL6578481 0.80 BDKRB2 (0.52) BDKRB2
SCHEMBL6580648 0.80 BDKRB2 (0.50) BDKRB2
SCHEMBL8361682 0.77 BDKRB2 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed