SCHEMBL8246145

SCHEMBL8246145

C=CCNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C1(C)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.42
▸ PITRM1 Q5JRX3 3/20 0.42
▸ DPP8 Q6V1X1 3/20 0.42
▸ DPP9 Q86TI2 3/20 0.42
▸ DPP7 Q9UHL4 3/20 0.42
▸ FAP Q12884 2/20 0.42
▸ F2 P00734 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ ELANE P08246 2/20 0.34
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ CTSF Q9UBX1 1/20 0.34
▸ XIAP P98170 1/20 0.34
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32

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
SCHEMBL8281869 0.97 DPP4 (0.42) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL8239464 0.90 DPP4 (0.42) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL8246062 0.88 DPP4 (0.41) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL13818162 0.87 DPP4 (0.40) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL8240265 0.86 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL8257927 0.84 F2 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL8248570 0.83 CTSV (0.49) ELANECTSVCTSLCTSBCMA1
SCHEMBL8244610 0.83 ELANE (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL12161401 0.83 DPP4 (0.44) DPP4PITRM1DPP8DPP9DPP7
SCHEMBL8278695 0.83 ELANE (0.39) DPP4DPP8DPP9DPP7FAP

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 8 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
EP-1730110-B1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2010-06-09 — — EP disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT 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-2006130627-A2 METHODS FOR TREATING HEPATITIS C SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 — — WO disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 — — WO disclosed
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