SCHEMBL9078136

SCHEMBL9078136

CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl.CCCN1NC1=O

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 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
Hydrochloric Acid SCHEMBL8562779 0.99 BDKRB2 (0.69) BDKRB2
SCHEMBL8560039 0.95 BDKRB2 (0.67) BDKRB2
Hydrochloric Acid SCHEMBL8565021 0.95 BDKRB2 (0.68) BDKRB2
SCHEMBL8560851 0.91 BDKRB2 (0.81) BDKRB2
Hydrochloric Acid SCHEMBL8566083 0.90 BDKRB2 (0.81) BDKRB2
Phthalimide SCHEMBL8566252 0.87 BDKRB2 (0.70) BDKRB2
SCHEMBL8569532 0.84 BDKRB2 (0.81) BDKRB2
Hydrochloric Acid SCHEMBL8567105 0.84 BDKRB2 (0.81) BDKRB2
SCHEMBL8567795 0.83 BDKRB2 (0.79) BDKRB2
SCHEMBL8562977 0.83 BDKRB2 (0.69) 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
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed