SCHEMBL15636707

SCHEMBL15636707

CCOc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(C#N)cc2)nn1-c1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 18/20 0.72
▸ CYP3A4 P08684 3/20 0.72
▸ MME P08473 2/20 0.61
▸ EGLN2 Q96KS0 1/20 0.45
▸ EGLN1 Q9GZT9 1/20 0.45
▸ PTGS2 P35354 1/20 0.45

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
SCHEMBL15637179 0.92 CTSA (0.70) CTSACYP3A4MME
SCHEMBL15637640 0.91 CTSA (0.81) CTSACYP3A4MMEPTGS2
SCHEMBL15636818 0.91 CTSA (0.77) CTSACYP3A4MMEPTGS2
SCHEMBL15636092 0.90 CTSA (0.57) CTSACYP3A4MMEEGLN2EGLN1
SCHEMBL15635745 0.90 CTSA (0.79) CTSACYP3A4MME
SCHEMBL15636911 0.89 CTSA (0.75) CTSACYP3A4MMEPTGS2
SCHEMBL15636993 0.87 CTSA (0.73) CTSACYP3A4MMEPTGS2
SCHEMBL15636125 0.87 CTSA (0.53) CTSACYP3A4MMEEGLN2EGLN1
SCHEMBL15635907 0.86 CTSA (0.88) CTSACYP3A4MME
SCHEMBL15636894 0.85 CTSA (0.74) CTSACYP3A4MMEPTGS2

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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