SCHEMBL16300800

SCHEMBL16300800

C=CCCC(NC(=O)[C@@H]1C2C(CN1C(=O)C(N)C1CCC(F)(F)CC1)C2(C)C)C(=O)C(=O)NCC=C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CMA1 P23946 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CTSF Q9UBX1 1/20 0.37

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
SCHEMBL12605963 1.00 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL14451555 1.00 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL10141442 1.00 CTSV (0.37) CTSVCTSLCTSBELANECMA1
SCHEMBL13690180 0.91 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL10141364 0.91 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL13693445 0.91 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL14451529 0.91 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL13690079 0.86 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL14451507 0.86 CTSV (0.36) CTSVCTSLCTSBELANECMA1
SCHEMBL10141273 0.86 CTSV (0.36) CTSVCTSLCTSBELANECMA1

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-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
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