SCHEMBL15636857

SCHEMBL15636857

COc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(O)n(-c2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.57
▸ CTSA P10619 17/20 0.57
▸ MME P08473 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57

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
SCHEMBL15637168 0.94 CTSA (0.56) APLNRCTSAMMECYP3A4
SCHEMBL15636689 0.94 CTSA (0.55) CTSAMMECYP3A4
SCHEMBL15637250 0.93 APLNR (0.56) APLNRCTSAMMECYP3A4
SCHEMBL15637007 0.92 CTSA (0.58) CTSAMMECYP3A4
SCHEMBL15636460 0.92 APLNR (0.53) APLNRCTSAMMECYP3A4
SCHEMBL15636496 0.92 CTSA (0.56) CTSAMMECYP3A4
SCHEMBL15637162 0.91 CTSA (0.55) CTSA
SCHEMBL15636834 0.89 CTSA (0.62) CTSAMMECYP3A4
SCHEMBL15637580 0.89 CTSA (0.55) CTSAMMECYP3A4
SCHEMBL15636872 0.89 CTSA (0.55) CTSAMMECYP3A4

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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