SCHEMBL19186771

SCHEMBL19186771

CC(C)(C)OC(=O)N1C2CCC(C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3c(c2)C(=O)NC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.61
▸ CTSK P43235 3/20 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
SCHEMBL15081710 1.00 CTSC (0.61) CTSCCTSK
SCHEMBL14821952 0.94 CTSC (0.61) CTSCCTSK
SCHEMBL15081698 0.93 CTSC (0.62) CTSCCTSK
SCHEMBL19187210 0.93 CTSC (0.60) CTSCCTSK
SCHEMBL16064278 0.90 CTSC (0.63) CTSCCTSK
SCHEMBL16071000 0.90 CTSC (0.62) CTSCCTSK
SCHEMBL15081672 0.89 CTSC (0.63) CTSCCTSK
SCHEMBL19187291 0.89 CTSC (0.63) CTSCCTSK
SCHEMBL15081695 0.88 CTSC (0.59) CTSCCTSK
SCHEMBL15081714 0.87 CTSC (0.59) 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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