SCHEMBL21172954

SCHEMBL21172954

CN1CCC2(CC1)OC(=O)c1cnc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4[C@H]5CC[C@H](C5)N4C(O)OC(C)(C)C)c(F)c3)cc12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.70
▸ CTSK P43235 2/20 0.45

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
SCHEMBL21440993 0.90 CTSC (0.69) CTSCCTSK
SCHEMBL18373190 0.90 CTSC (0.70) CTSCCTSK
SCHEMBL18373199 0.86 CTSC (0.70) CTSCCTSK
SCHEMBL18373189 0.85 CTSC (0.63) CTSCCTSK
SCHEMBL21172943 0.84 CTSC (0.70) CTSCCTSK
SCHEMBL18373207 0.83 CTSC (0.71) CTSCCTSK
SCHEMBL21076200 0.83 CTSC (0.64) CTSCCTSK
SCHEMBL18373186 0.82 CTSC (0.68) CTSCCTSK
SCHEMBL18373182 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL18373161 0.82 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-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 — — EP disclosed
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