SCHEMBL16223822

SCHEMBL16223822

O=C(O)CC(NC(=O)c1cc(O)n(-c2cccc(Cl)c2)n1)c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 19/20 0.48
▸ TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL15635729 0.94 CTSA (0.49) CTSA
SCHEMBL15636245 0.92 CTSA (0.47) CTSA
SCHEMBL15636933 0.92 CTSA (0.50) CTSA
SCHEMBL15637451 0.90 CTSA (0.48) CTSATRPV1
SCHEMBL15637437 0.90 CTSA (0.49) CTSA
SCHEMBL15636817 0.89 CTSA (0.49) CTSA
SCHEMBL15637479 0.88 CTSA (0.51) CTSA
SCHEMBL15636470 0.88 CTSA (0.49) CTSA
SCHEMBL16223771 0.87 CTSA (0.51) CTSA
SCHEMBL15636472 0.86 CTSA (0.55) CTSA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826772-A1 Intermediates for the synthesis of oxygen-substituted 3-heteroaroylamino-propionic acid derivatives SANOFI (FR) 2015-01-21 — — EP disclosed
EP-2528902-B1 OXYGEN-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-11-12 — — EP disclosed
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