SCHEMBL19186901

SCHEMBL19186901

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3oc(=O)[nH]c3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.62

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
SCHEMBL15081641 1.00 CTSC (0.62) CTSC
SCHEMBL15084034 0.87 CTSC (0.57) CTSC
SCHEMBL19187192 0.87 CTSC (0.57) CTSC
SCHEMBL15081669 0.85 CTSC (0.60) CTSC
SCHEMBL19187942 0.85 CTSC (0.59) CTSC
SCHEMBL15081714 0.85 CTSC (0.59) CTSC
SCHEMBL15081628 0.84 CTSC (0.62) CTSC
SCHEMBL15081640 0.84 CTSC (0.61) CTSC
SCHEMBL15081636 0.84 CTSC (0.54) CTSC
SCHEMBL15081718 0.83 CTSC (0.58) CTSC

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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