SCHEMBL15637012

SCHEMBL15637012

Cc1nnc(-c2cccc(-c3cncc(C(=O)N[C@@H](CC(=O)O)c4ccccc4C)c3)c2)o1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 20/20 0.74

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
SCHEMBL15637015 1.00 CTSA (0.74) CTSA
SCHEMBL15636910 0.83 CTSA (0.78) CTSA
SCHEMBL15636912 0.83 CTSA (0.78) CTSA
SCHEMBL15636631 0.82 CTSA (0.88) CTSA
SCHEMBL15636625 0.82 CTSA (0.88) CTSA
SCHEMBL15636987 0.80 CTSA (0.84) CTSA
SCHEMBL12498449 0.80 CTSA (1.00) CTSA
SCHEMBL12498455 0.80 CTSA (1.00) CTSA
SCHEMBL15637290 0.79 CTSA (0.81) CTSA
SCHEMBL15637292 0.79 CTSA (0.81) 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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