SCHEMBL19186802

SCHEMBL19186802

CS(=O)(=O)c1ccc(-c2ccc(C[C@@H](CN)NC(=O)C3NC4CCC3C4)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.72
▸ CTSK P43235 5/20 0.58

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
SCHEMBL19187961 0.85 CTSC (0.69) CTSC
SCHEMBL19186801 0.84 CTSC (0.71) CTSCCTSK
SCHEMBL15083962 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL19188015 0.80 CTSC (0.71) CTSC
SCHEMBL16071156 0.78 CTSC (1.00) CTSCCTSK
SCHEMBL14821976 0.76 CTSC (1.00) CTSCCTSK
SCHEMBL14822379 0.76 CTSC (1.00) CTSCCTSK
SCHEMBL14822182 0.75 CTSC (1.00) CTSCCTSK
SCHEMBL14822164 0.75 CTSC (1.00) CTSC
SCHEMBL14822384 0.74 CTSC (1.00) CTSCCTSK

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-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 — — EP disclosed
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