SCHEMBL16622348

SCHEMBL16622348

CCCC(=O)N1CCC(c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 18/20 0.62
▸ PREP P48147 1/20 0.40
▸ CTSK P43235 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL14821868 0.94 CTSC (0.61) CTSCPREPCTSK
SCHEMBL16622376 0.91 CTSC (0.60) CTSCPREPCTSK
SCHEMBL14822166 0.90 CTSC (0.63) CTSCPREPCTSK
SCHEMBL16622357 0.90 CTSC (0.61) CTSCPREPCTSK
SCHEMBL15081651 0.89 CTSC (0.59) CTSCPREPCTSK
SCHEMBL16622359 0.89 CTSC (0.61) CTSCPREP
SCHEMBL16622333 0.89 CTSC (0.60) CTSCPREP
SCHEMBL16622358 0.88 CTSC (0.61) CTSCPREPCTSK
SCHEMBL15081668 0.88 CTSC (0.55) CTSCPREP
SCHEMBL16622349 0.87 CTSC (0.46) CTSCPREPNAMPT

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
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
Send feedback