SCHEMBL14822135

SCHEMBL14822135

C=C(OC(C)(C)C)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3cn[nH]c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.59

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
SCHEMBL15081640 0.93 CTSC (0.61) CTSC
SCHEMBL14822351 0.87 CTSC (0.62) CTSC
SCHEMBL14821842 0.87 CTSC (0.61) CTSC
SCHEMBL16064377 0.87 CTSC (0.59) CTSC
SCHEMBL17620407 0.87 CTSC (0.59) CTSC
SCHEMBL14821844 0.86 CTSC (0.52) CTSC
SCHEMBL19186949 0.86 CTSC (0.57) CTSC
SCHEMBL14822350 0.85 CTSC (0.62) CTSC
SCHEMBL19186963 0.85 CTSC (0.58) CTSC
SCHEMBL19186767 0.85 CTSC (0.57) 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
WO-2013041497-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-28 — — WO disclosed
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