SCHEMBL19187807

SCHEMBL19187807

N#C[C@H](Cc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1P2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.73
▸ CTSK P43235 8/20 0.73

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
SCHEMBL16045001 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL16622364 0.83 CTSC (1.00) CTSCCTSK
SCHEMBL15084142 0.83 CTSC (0.73) CTSCCTSK
SCHEMBL16478367 0.82 CTSC (0.71) CTSCCTSK
SCHEMBL16071155 0.77 CTSC (1.00) CTSCCTSK
SCHEMBL16214766 0.76 CTSC (0.68) CTSCCTSK
SCHEMBL14822395 0.76 CTSC (1.00) CTSCCTSK
SCHEMBL16485751 0.75 CTSC (0.67) CTSCCTSK
SCHEMBL16478189 0.75 CTSC (0.67) CTSCCTSK
SCHEMBL16064483 0.74 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
Send feedback