SCHEMBL4622305

SCHEMBL4622305

O=C(O)CC[C@H](NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.50
MAPK14 Q16539 1/20 0.44
PTPRC P08575 2/20 0.44
CTSL P07711 1/20 0.44
PTPN13 Q12923 1/20 0.44
CPB2 Q96IY4 1/20 0.43
FAAH O00519 3/20 0.43
CNR2 P34972 2/20 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
SCHEMBL4365443 0.88 CCKBR (0.49) CCKBRMAPK14CPB2FAAHCNR2
SCHEMBL4623284 0.81 FAAH (0.53) CCKBRFAAHCNR2
SCHEMBL3589250 0.80 PTPRC (0.52) CCKBRMAPK14PTPRCCTSLPTPN13
SCHEMBL2249422 0.78 HPGDS (0.59) MAPK14PTPRCCTSLPTPN13
SCHEMBL4621604 0.77 NPC1 (0.44) CCKBRCPB2FAAH
SCHEMBL2247337 0.77 CCKBR (0.52) CCKBRPTPRCCTSLPTPN13
SCHEMBL2247862 0.77 CCKBR (0.51) CCKBRPTPRCCTSLPTPN13
SCHEMBL3587576 0.74 CCKBR (0.51) CCKBR
SCHEMBL2247265 0.72 MMP2 (0.63) PTPRCCTSLPTPN13
SCHEMBL2249427 0.71 CA2 (0.59) MAPK14PTPRCCTSLPTPN13

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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed