SCHEMBL19187709

SCHEMBL19187709

CCC(=O)N1CCC(c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00

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
SCHEMBL14822183 1.00 CTSC (1.00) CTSC
SCHEMBL14822186 0.93 CTSC (1.00) CTSC
SCHEMBL19187870 0.91 CTSC (1.00) CTSC
SCHEMBL14822185 0.91 CTSC (1.00) CTSC
SCHEMBL14822187 0.91 CTSC (1.00) CTSC
SCHEMBL14822386 0.90 CTSC (1.00) CTSC
SCHEMBL19186962 0.89 CTSC (1.00) CTSC
SCHEMBL15084092 0.89 CTSC (1.00) CTSC
SCHEMBL14822170 0.89 CTSC (1.00) CTSC
SCHEMBL14822171 0.89 CTSC (1.00) 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
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
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