SCHEMBL8090589

SCHEMBL8090589

COc1cccc(/C=C/C(=O)NCCOc2ccc(Cl)c(COc3cccc4ccc(C)nc34)c2Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 17/20 0.59

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
SCHEMBL8098918 0.92 BDKRB2 (0.60) BDKRB2
SCHEMBL8099285 0.91 BDKRB2 (0.70) BDKRB2
SCHEMBL8089811 0.87 BDKRB2 (0.61) BDKRB2
SCHEMBL8803792 0.85 BDKRB2 (0.75) BDKRB2
SCHEMBL8803785 0.85 BDKRB2 (0.75) BDKRB2
SCHEMBL7747475 0.84 BDKRB2 (0.84) BDKRB2
SCHEMBL7747480 0.84 BDKRB2 (0.84) BDKRB2
Hydrochloric Acid SCHEMBL7742945 0.83 BDKRB2 (0.84) BDKRB2
Hydrochloric Acid SCHEMBL7742948 0.83 BDKRB2 (0.84) BDKRB2
SCHEMBL8097169 0.81 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140341-A FOR TREATING PAIN HOECHST AKTIENGESELLSCHAFT (DE) 2000-10-31 US claimed
US-6140341-A FOR TREATING PAIN HOECHST AKTIENGESELLSCHAFT (DE) 2000-10-31 US disclosed
EP-0795547-B1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AG (DE) 2000-05-10 EP disclosed
EP-0795547-A1 (Aminoalkyl- and acylaminoalkyl-oxy)benzyloxyquinolines, process for their preparation and use as Bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-17 EP disclosed