SCHEMBL14821972

SCHEMBL14821972

C=C(OC(C)(C)C)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2cccc(C#N)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.57
▸ CTSK P43235 1/20 0.39

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
SCHEMBL15081696 0.93 CTSC (0.59) CTSCCTSK
SCHEMBL14821974 0.91 CTSC (0.60) CTSC
SCHEMBL14821844 0.87 CTSC (0.52) CTSCCTSK
SCHEMBL19186949 0.85 CTSC (0.57) CTSCCTSK
SCHEMBL14822154 0.85 CTSC (0.43) CTSCCTSK
SCHEMBL14822140 0.84 CTSC (0.56) CTSCCTSK
SCHEMBL15081692 0.83 CTSC (0.62) CTSC
SCHEMBL19187226 0.82 CTSC (0.59) CTSCCTSK
SCHEMBL19186963 0.81 CTSC (0.58) CTSCCTSK
SCHEMBL19186767 0.81 CTSC (0.57) 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
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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