SCHEMBL21441006

SCHEMBL21441006

CN1CCC2(CC1)OCc1ccc(-c3ccc(C[C@@H](C#N)NC(=O)C4N[C@@H]5CC[C@H]4C5)c(F)c3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 1.00
▸ CTSK P43235 3/20 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
SCHEMBL18373160 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL17584766 0.93 CTSC (1.00) CTSCCTSK
SCHEMBL18373159 0.91 CTSC (1.00) CTSCCTSK
SCHEMBL21233250 0.91 CTSC (1.00) CTSCCTSK
SCHEMBL17584767 0.91 CTSC (1.00) CTSCCTSK
SCHEMBL18373181 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL18373194 0.88 CTSC (1.00) CTSCCTSK
SCHEMBL18373180 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL18373222 0.86 CTSC (1.00) CTSCCTSK
SCHEMBL18373220 0.86 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
US-RE47636-E1 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-08 — — US disclosed
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