SCHEMBL8250941

SCHEMBL8250941

C=CCNC(=O)C(=O)C(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c1ccccn1)C(C)(C)C)C(C)(C)C)C2(C)C)C1CC1

nearest known ligand 0.42

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
SCHEMBL13272536 0.94 F13A1 (0.33)
SCHEMBL8245060 0.93
SCHEMBL8252626 0.92 CTSV (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL14596537 0.91 CTSB (0.32) CTSB
SCHEMBL13273027 0.91 CTSV (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL8250114 0.91 ELANE (0.46) CTSVCTSLCTSBELANECMA1
SCHEMBL8254662 0.91 CTSL (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL8253757 0.91 CTSL (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL8247813 0.90 CTSV (0.32) CTSVCTSLCTSBELANECMA1
SCHEMBL13272936 0.90 CTSV (0.37) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed