SCHEMBL19187986

SCHEMBL19187986

CSc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)C3NC4CCC3C4)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 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
SCHEMBL14822287 0.87 CTSC (1.00) CTSC
SCHEMBL19186938 0.87 CTSC (1.00) CTSC
SCHEMBL14822193 0.87 CTSC (1.00) CTSC
SCHEMBL19187232 0.87 CTSC (0.81) CTSC
SCHEMBL14821976 0.85 CTSC (1.00) CTSC
SCHEMBL22045590 0.83 CTSC (0.79) CTSC
SCHEMBL19187611 0.83 CTSC (1.00) CTSC
SCHEMBL14822200 0.83 CTSC (1.00) CTSC
SCHEMBL19188080 0.82 CTSC (1.00) CTSC
SCHEMBL14821982 0.82 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
Send feedback