SCHEMBL15636504

SCHEMBL15636504

CCOc1cc(C(=O)N[C@@H](CC(=O)O)c2cccc(OC)c2)nn1-c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 19/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ MME P08473 2/20 0.53

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
SCHEMBL15636511 0.93 CTSA (0.65) CTSACYP3A4MME
SCHEMBL15637399 0.91 CTSA (0.61) CTSACYP3A4MME
SCHEMBL15636894 0.90 CTSA (0.74) CTSACYP3A4MME
SCHEMBL15637180 0.89 CTSA (0.52) CTSACYP3A4MME
SCHEMBL15636653 0.89 CTSA (0.62) CTSACYP3A4MME
SCHEMBL15636590 0.88 CTSA (0.67) CTSACYP3A4MME
SCHEMBL15636918 0.88 CTSA (0.66) CTSACYP3A4MME
SCHEMBL15637407 0.88 CTSA (0.63) CTSACYP3A4MME
SCHEMBL15636884 0.87 CTSA (0.70) CTSACYP3A4MME
SCHEMBL15637043 0.87 CTSA (0.65) CTSACYP3A4MME

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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