SCHEMBL19187233

SCHEMBL19187233

CC(C)(O)c1cn(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CCC3C4)cc2)nn1

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
SCHEMBL16622360 1.00 CTSC (1.00) CTSC
SCHEMBL14821967 0.87 CTSC (1.00) CTSC
SCHEMBL14822383 0.86 CTSC (1.00) CTSC
SCHEMBL14822232 0.85 CTSC (1.00) CTSC
SCHEMBL15084102 0.85 CTSC (0.74) CTSC
SCHEMBL19187215 0.83 CTSC (1.00) CTSC
SCHEMBL14822410 0.83 CTSC (1.00) CTSC
SCHEMBL14822235 0.82 CTSC (1.00) CTSC
SCHEMBL14822192 0.81 CTSC (1.00) CTSC
SCHEMBL14821990 0.81 CTSC (0.80) 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