SCHEMBL15637010

SCHEMBL15637010

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccc(F)cc2F)n1)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 19/20 0.60
▸ CYP3A4 P08684 2/20 0.45
▸ MME P08473 1/20 0.45
▸ EEF2K O00418 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
SCHEMBL15636029 0.94 CTSA (0.53) CTSACYP3A4MME
SCHEMBL15636508 0.91 CTSA (0.56) CTSACYP3A4MME
SCHEMBL16223921 0.91 CTSA (0.56) CTSACYP3A4MME
SCHEMBL15635879 0.90 CTSA (0.72) CTSACYP3A4MME
SCHEMBL15636160 0.89 CTSA (0.51) CTSACYP3A4MME
SCHEMBL15636399 0.89 CTSA (0.49) CTSACYP3A4MME
SCHEMBL15636577 0.88 CTSA (0.58) CTSAEEF2K
SCHEMBL15636498 0.88 CTSA (0.49) CTSACYP3A4MME
SCHEMBL15637004 0.86 CTSA (0.63) CTSACYP3A4MME
SCHEMBL15636950 0.86 CTSA (0.63) 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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