SCHEMBL4180935

SCHEMBL4180935

CN1CCCCC=CC2CC2(C(=O)C2(S(N)(=O)=O)CC2)NC(=O)C(CCO)NC1=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.31

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
SCHEMBL4189690 0.93 CTSB (0.31) CTSB
SCHEMBL4207217 0.84 CTSB (0.32) CTSB
SCHEMBL4215396 0.84 CTSB (0.33) CTSB
SCHEMBL4215391 0.84 CTSB (0.33) CTSB
SCHEMBL4204933 0.84 CTSB (0.33) CTSB
SCHEMBL4187710 0.84 CTSB (0.33) CTSB
SCHEMBL4204939 0.84 CTSB (0.33) CTSB
SCHEMBL13929823 0.81 CTSB (0.37) CTSB
SCHEMBL8075358 0.80 CTSB (0.31) CTSB
SCHEMBL4207219 0.80 CTSB (0.47) CTSB

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
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 — — WO disclosed
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