SCHEMBL15636300

SCHEMBL15636300

COc1cccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 20/20 1.00

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
SCHEMBL15636302 1.00 CTSA (1.00) CTSA
SCHEMBL15635687 0.90 CTSA (1.00) CTSA
SCHEMBL15635684 0.90 CTSA (1.00) CTSA
SCHEMBL15635947 0.89 CTSA (1.00) CTSA
SCHEMBL15635946 0.89 CTSA (1.00) CTSA
SCHEMBL12498200 0.89 CTSA (1.00) CTSA
SCHEMBL12498193 0.89 CTSA (1.00) CTSA
SCHEMBL12498879 0.88 CTSA (1.00) CTSA
SCHEMBL12498885 0.88 CTSA (1.00) CTSA
SCHEMBL12498248 0.85 CTSA (1.00) 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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