SCHEMBL17998322

SCHEMBL17998322

O=C(O)CC(NC(=O)c1cnc(O)c(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 18/20 0.58
▸ SUCNR1 Q9BXA5 2/20 0.53

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
SCHEMBL17998288 0.85 CTSA (0.67) CTSA
SCHEMBL2875456 0.83 MMEL1 (0.64) CTSA
SCHEMBL2875462 0.83 MMEL1 (0.64) CTSA
SCHEMBL17998478 0.81 CTSA (0.66) CTSA
SCHEMBL17998476 0.81 CTSA (0.66) CTSA
SCHEMBL27761114 0.79 CTSA (0.62) CTSASUCNR1
SCHEMBL3994930 0.77 CTSA (0.57) CTSASUCNR1
SCHEMBL14952843 0.76 MMEL1 (0.51) —
SCHEMBL5926505 0.75 CTSA (0.60) CTSASUCNR1
SCHEMBL15637633 0.74 CTSA (1.00) CTSASUCNR1

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
EP-2667870-B1 SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-08-24 — — EP disclosed
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