SCHEMBL18373183

SCHEMBL18373183

N#C[C@H](Cc1ccc(-c2cc3c(cn2)C(=O)OC32CCN(C3COC3)CC2)cc1F)NC(=O)C1N[C@@H]2CC[C@H]1C2

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 2/20 0.62

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
SCHEMBL18373163 1.00 CTSC (1.00) CTSCCTSK
SCHEMBL18373161 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL18373182 0.92 CTSC (1.00) CTSCCTSK
SCHEMBL18373195 0.90 CTSC (1.00) CTSCCTSK
SCHEMBL17584771 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL18373162 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL18373184 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL18373152 0.89 CTSC (1.00) CTSCCTSK
SCHEMBL17584767 0.84 CTSC (1.00) CTSCCTSK
SCHEMBL18373181 0.84 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 2 patents. 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
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 — — US disclosed
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