SCHEMBL19186936

SCHEMBL19186936

C/N=C/[C@H](Cc1ccc(N2CCN(C(=O)N(C)C)CC2)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.71
▸ CTSK P43235 2/20 0.44

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
SCHEMBL19187231 0.87 CTSC (0.71) CTSCCTSK
SCHEMBL19188028 0.86 CTSC (0.71) CTSCCTSK
SCHEMBL19187707 0.84 CTSC (0.71) CTSCCTSK
SCHEMBL14822233 0.83 CTSC (1.00) CTSC
SCHEMBL19187292 0.81 CTSC (0.72) CTSCCTSK
SCHEMBL19186832 0.81 CTSC (0.71) CTSCCTSK
SCHEMBL19187182 0.79 CTSC (0.70) CTSCCTSK
SCHEMBL19186805 0.79 CTSC (0.71) CTSCCTSK
SCHEMBL19187034 0.78 CTSC (0.71) CTSCCTSK
SCHEMBL19188014 0.78 CTSC (0.69) 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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