SCHEMBL13689667

SCHEMBL13689667

CCCC(NC(=O)[C@@H]1[C@H]2[C@@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC3CCCCC3C1)C2(C)C)C(=O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ ELANE P08246 1/20 0.51
▸ CMA1 P23946 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ CTSF Q9UBX1 1/20 0.51
▸ F13A1 P00488 1/20 0.36
▸ TGM2 P21980 1/20 0.36

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
SCHEMBL10140595 1.00 CTSV (0.51) CTSVCTSLCTSBELANECMA1
SCHEMBL10140295 0.94 CTSV (0.51) CTSVCTSLCTSBELANECMA1
SCHEMBL12605402 0.94 CTSV (0.51) CTSVCTSLCTSBELANECMA1
SCHEMBL10140250 0.93 CTSV (0.51) CTSVCTSLCTSBELANECMA1
SCHEMBL10226927 0.91 CTSV (0.60) CTSVCTSLCTSBELANECMA1
SCHEMBL13689670 0.91 CTSV (0.60) CTSVCTSLCTSBELANECMA1
SCHEMBL14451277 0.91 CTSV (0.60) CTSVCTSLCTSBELANECMA1
SCHEMBL14451276 0.91 CTSV (0.63) CTSVCTSLCTSBELANECMA1
SCHEMBL13689666 0.91 CTSV (0.63) CTSVCTSLCTSBELANECMA1
SCHEMBL10140589 0.91 CTSV (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
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