SCHEMBL8248558

SCHEMBL8248558

C#CCCC(NC(=O)[C@@H]1C2C(CN1C(=O)[C@@H](N)C1CCCCC1)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 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CTSF Q9UBX1 1/20 0.38

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
SCHEMBL8248975 1.00 CTSV (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL13690180 0.90 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL10141364 0.90 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL14451529 0.90 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL13693445 0.90 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL8280469 0.90 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL8282352 0.90 CTSV (0.41) CTSVCTSLCTSBELANECMA1
SCHEMBL8244306 0.89 ALDH1A1 (0.30) —
SCHEMBL14595892 0.88 CTSV (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL13817720 0.88 CTSV (0.38) 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-7186747-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-06 — — US disclosed
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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