SCHEMBL8252744

SCHEMBL8252744

CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](N)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSF Q9UBX1 1/20 0.42

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
SCHEMBL8280469 0.86 CTSV (0.40) CTSKCTSVCTSLCTSBELANE
SCHEMBL8282352 0.84 CTSV (0.41) CTSKCTSVCTSLCTSBELANE
SCHEMBL13693445 0.83 CTSV (0.40) CTSKCTSVCTSLCTSBELANE
SCHEMBL10141364 0.83 CTSV (0.40) CTSKCTSVCTSLCTSBELANE
SCHEMBL13690180 0.83 CTSV (0.40) CTSKCTSVCTSLCTSBELANE
SCHEMBL14451529 0.83 CTSV (0.40) CTSKCTSVCTSLCTSBELANE
SCHEMBL10228082 0.81 CTSV (0.48) CTSKCTSVCTSLCTSBELANE
SCHEMBL8249934 0.81 NPSR1 (0.43) CTSK
SCHEMBL8253014 0.80 CTSK (0.36) CTSKCTSVCTSLCTSBELANE
SCHEMBL8248558 0.80 CTSV (0.38) CTSKCTSVCTSLCTSBELANE

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-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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