SCHEMBL15637166

SCHEMBL15637166

COc1cccc([C@H](CC(=O)O)NC(=O)c2cc(O)n(-c3cccc(Cl)c3)n2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 20/20 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
SCHEMBL15637144 0.94 CTSA (0.56) CTSA
SCHEMBL15637631 0.93 CTSA (0.50) CTSA
SCHEMBL15637540 0.93 CTSA (0.51) CTSA
SCHEMBL15637421 0.90 CTSA (0.51) CTSA
SCHEMBL15637250 0.88 APLNR (0.56) CTSA
SCHEMBL15636616 0.88 CTSA (0.54) CTSA
SCHEMBL15636155 0.86 CTSA (0.58) CTSA
SCHEMBL15636689 0.86 CTSA (0.55) CTSA
SCHEMBL15637162 0.85 CTSA (0.55) CTSA
SCHEMBL15636009 0.84 CTSA (0.65) CTSA

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
WO-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
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