SCHEMBL19155404

SCHEMBL19155404

C[C@H]1C2[C@H]1[C@@H]1C[C@H]2[C@@H](C(=O)N[C@H](C#N)Cc2ccc(-c3ccc(Cl)nc3)cc2F)N1C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.55
▸ CTSK P43235 16/20 0.55

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
SCHEMBL19155247 1.00 CTSC (0.55) CTSCCTSK
SCHEMBL21076238 1.00 CTSC (0.55) CTSCCTSK
SCHEMBL19155144 0.93 CTSC (0.56) CTSCCTSK
SCHEMBL22642821 0.93 CTSC (0.56) CTSCCTSK
SCHEMBL21076183 0.93 CTSC (0.56) CTSCCTSK
SCHEMBL19155160 0.93 CTSC (0.56) CTSCCTSK
SCHEMBL16064466 0.91 CTSC (0.63) CTSCCTSK
SCHEMBL21076277 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL21076278 0.88 CTSC (0.58) CTSCCTSK
SCHEMBL22643225 0.88 CTSC (0.58) 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
US-9713606-B2 Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 — — US disclosed
Send feedback