SCHEMBL21440993

SCHEMBL21440993

CN1CCC2(CC1)OC(=O)c1ncc(-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 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.69
▸ CTSK P43235 1/20 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
SCHEMBL21172954 0.90 CTSC (0.70) CTSCCTSK
SCHEMBL18373172 0.90 CTSC (0.69) CTSCCTSK
SCHEMBL21441024 0.83 CTSC (0.60) CTSCCTSK
SCHEMBL21076200 0.82 CTSC (0.64) CTSCCTSK
SCHEMBL18373222 0.82 CTSC (1.00) CTSCCTSK
SCHEMBL21076274 0.82 CTSC (0.65) CTSCCTSK
SCHEMBL21076276 0.81 CTSC (0.64) CTSCCTSK
SCHEMBL18373186 0.81 CTSC (0.68) CTSCCTSK
SCHEMBL22642866 0.80 CTSC (0.62) CTSCCTSK
SCHEMBL21172943 0.80 CTSC (0.70) 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
US-RE47636-E1 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-08 — — US disclosed
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