SCHEMBL6576066

SCHEMBL6576066

Cc1ccc2cccc(OCc3c(Cl)ccc(N)c3C#N)c2n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.60
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL6578383 0.87 BDKRB2 (0.51) BDKRB2MEN1KMT2A
SCHEMBL6936587 0.85 BDKRB2 (0.66) BDKRB2MEN1KMT2A
Hydrochloric Acid SCHEMBL6644122 0.84 BDKRB2 (0.65) BDKRB2MEN1KMT2A
SCHEMBL6576229 0.83 BDKRB2 (0.54) BDKRB2MEN1KMT2A
SCHEMBL6578777 0.82 BDKRB2 (0.62) BDKRB2MEN1KMT2A
SCHEMBL7746973 0.81 BDKRB2 (0.82) BDKRB2MEN1KMT2A
SCHEMBL6578892 0.80 BDKRB2 (0.57) BDKRB2
SCHEMBL7914190 0.79 BDKRB2 (0.50) BDKRB2
SCHEMBL8364184 0.77 BDKRB2 (0.67) BDKRB2MEN1KMT2A
SCHEMBL8173952 0.76 BDKRB2 (0.63) BDKRB2MEN1KMT2A

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 3 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
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US 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