SCHEMBL19188014

SCHEMBL19188014

C/N=C\[C@H](Cc1ccc(C=C(C)C)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.69

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
SCHEMBL19188015 0.82 CTSC (0.71) CTSC
SCHEMBL19187182 0.82 CTSC (0.70) CTSC
SCHEMBL15084095 0.82 CTSC (1.00) CTSC
SCHEMBL19188022 0.81 CTSC (0.69) CTSC
SCHEMBL19187231 0.79 CTSC (0.71) CTSC
SCHEMBL19186700 0.79 CTSC (0.69) CTSC
SCHEMBL19188028 0.79 CTSC (0.71) CTSC
SCHEMBL19187149 0.79 CTSC (0.71) CTSC
SCHEMBL19368355 0.78 CTSC (0.70) CTSC
SCHEMBL19367940 0.78 CTSC (0.70) 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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