SCHEMBL8289296

SCHEMBL8289296

CC(=O)[C@@H]1CC(c2ccccc2)CN1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.61
DPP4 P27487 2/20 0.50
F2 P00734 4/20 0.43
RPS6KB1 P23443 1/20 0.43
MASP2 O00187 8/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42

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
SCHEMBL124005 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL28100314 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1MASP2
SCHEMBL7870187 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL197989 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL197990 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL25396765 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL8512122 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL20011747 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL199332 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3
SCHEMBL5201978 0.86 HDAC2 (0.65) HDAC2DPP4F2RPS6KB1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385870-B1 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-03-17 EP disclosed
EP-1467989-B1 PROLINE COMPOUNDS AS NS3-SERINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF HEPATITIS C VIRUS INFECTION SCHERING CORP (US) 2009-09-23 EP disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 WO disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed