SCHEMBL8251047

SCHEMBL8251047

NC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 8/20 0.45
▸ DPP7 Q9UHL4 4/20 0.45
▸ DPP8 Q6V1X1 3/20 0.45
▸ DPP9 Q86TI2 2/20 0.45
▸ FAP Q12884 1/20 0.45
▸ OPRM1 P35372 2/20 0.40
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CTSF Q9UBX1 1/20 0.39
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ HTRA1 Q92743 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL8257927 0.85 F2 (0.39) DPP4DPP7DPP8DPP9FAP
SCHEMBL8225089 0.84 DPP4 (0.46) DPP4OPRM1CTSVCTSLCTSB
SCHEMBL8246705 0.84 DPP4 (0.43) DPP4DPP7DPP8DPP9FAP
SCHEMBL12605531 0.83 ELANE (0.50) OPRM1CTSVCTSLCTSBELANE
SCHEMBL16329116 0.83 ELANE (0.50) OPRM1CTSVCTSLCTSBELANE
SCHEMBL12605549 0.83 CTSV (0.35) DPP4OPRM1CTSVCTSLCTSB
SCHEMBL8240043 0.82 F2 (0.39) DPP4DPP7DPP8DPP9FAP
SCHEMBL8253104 0.82 ELANE (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL12605524 0.81 CTSV (0.41) DPP4CTSVCTSLCTSBELANE
SCHEMBL12605558 0.81 CTSV (0.41) OPRM1CTSVCTSLCTSBELANE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 — — EP disclosed
WO-2006130553-A2 HCV PROTEASE INHIBITORS 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
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