SCHEMBL19187764

SCHEMBL19187764

CN1CCCN(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 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00
▸ CTSK P43235 2/20 0.77

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
SCHEMBL14822375 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL14821910 0.96 CTSC (1.00) CTSCCTSK
SCHEMBL22643188 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL16064602 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL14822234 0.87 CTSC (1.00) CTSCCTSK
SCHEMBL14822233 0.85 CTSC (1.00) CTSC
SCHEMBL14822229 0.85 CTSC (1.00) CTSC
SCHEMBL14822376 0.85 CTSC (1.00) CTSCCTSK
SCHEMBL19186962 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL15084092 0.84 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 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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