SCHEMBL13622800

SCHEMBL13622800

C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)C1C2C(CN1C(=O)[C@@H](N)C(C)(C)C)C2(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.53
▸ CTSL P07711 1/20 0.53
▸ CTSB P07858 1/20 0.53
▸ ELANE P08246 1/20 0.53
▸ CMA1 P23946 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ CTSF Q9UBX1 1/20 0.53

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
SCHEMBL12140598 1.00 CTSV (0.53) CTSVCTSLCTSBELANECMA1
SCHEMBL13622726 1.00 CTSV (0.53) CTSVCTSLCTSBELANECMA1
SCHEMBL16313095 1.00 CTSV (0.53) CTSVCTSLCTSBELANECMA1
SCHEMBL16316240 1.00 CTSV (0.53) CTSVCTSLCTSBELANECMA1
SCHEMBL14522202 1.00 CTSV (0.53) CTSVCTSLCTSBELANECMA1
SCHEMBL12601219 1.00 CTSV (0.53) CTSVCTSLCTSBELANECMA1
SCHEMBL13251405 0.97 CTSV (0.58) CTSVCTSLCTSBELANECMA1
SCHEMBL8282346 0.91 CTSV (0.44) CTSVCTSLCTSBELANECMA1
SCHEMBL8254688 0.90 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL13632837 0.88 CTSV (0.56) 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-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 — — US disclosed
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