SCHEMBL15636728

SCHEMBL15636728

Cc1ccc(C)c(-n2nc(C(=O)NC(CC(=O)O)c3cccnc3)cc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 16/20 0.45
▸ SUCNR1 Q9BXA5 2/20 0.45
▸ EGLN2 Q96KS0 2/20 0.42
▸ EGLN1 Q9GZT9 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MME P08473 1/20 0.42

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
SCHEMBL15635984 0.89 CTSA (0.51) CTSACYP3A4MME
SCHEMBL15635938 0.88 CTSA (0.53) CTSA
SCHEMBL15636743 0.85 CTSA (0.49) CTSAEGLN2EGLN1CYP3A4MME
SCHEMBL15636612 0.85 CTSA (0.50) CTSACYP3A4MME
SCHEMBL15636746 0.85 CTSA (0.62) CTSACYP3A4MME
SCHEMBL15635378 0.85 CTSA (0.51) CTSACYP3A4MME
SCHEMBL15636410 0.85 SUCNR1 (0.51) CTSASUCNR1EGLN2EGLN1
SCHEMBL15636731 0.85 SUCNR1 (0.51) CTSASUCNR1EGLN2EGLN1
SCHEMBL15637644 0.84 CTSA (0.50) CTSA
SCHEMBL15636323 0.84 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
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