SCHEMBL15637435

SCHEMBL15637435

CCOc1cc(C(=O)N[C@@H](CC(=O)O)c2cccc(C)c2)nn1-c1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 19/20 0.77
▸ CYP3A4 P08684 3/20 0.77
▸ MME P08473 2/20 0.65
▸ PTGS2 P35354 1/20 0.49

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
SCHEMBL15637640 0.93 CTSA (0.81) CTSACYP3A4MMEPTGS2
SCHEMBL15636894 0.91 CTSA (0.74) CTSACYP3A4MMEPTGS2
SCHEMBL15635745 0.91 CTSA (0.79) CTSACYP3A4MME
SCHEMBL15636275 0.91 CTSA (0.75) CTSACYP3A4MME
SCHEMBL15637399 0.90 CTSA (0.61) CTSACYP3A4MME
SCHEMBL14696349 0.89 CTSA (0.62) CTSACYP3A4MME
SCHEMBL14696352 0.89 CTSA (0.62) CTSACYP3A4MME
SCHEMBL14696492 0.89 CTSA (0.77) CTSACYP3A4MME
SCHEMBL14696493 0.89 CTSA (0.77) CTSACYP3A4MME
SCHEMBL14696460 0.89 CTSA (0.62) 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
Send feedback