SCHEMBL14822152

SCHEMBL14822152

COCCN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)cc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 1.00
CTSK P43235 3/20 0.82

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
SCHEMBL14822399 0.96 CTSC (1.00) CTSCCTSK
SCHEMBL16070993 0.96 CTSC (1.00) CTSCCTSK
SCHEMBL19187217 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL14822415 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL16064271 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL22643159 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL15064980 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL19188027 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL15084081 0.86 CTSC (0.78) CTSCCTSK
SCHEMBL14822202 0.86 CTSC (1.00) 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 3 patents. 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
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
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