SCHEMBL4623232

SCHEMBL4623232

Cc1ccccc1C(C)N(C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
TTR P02766 3/20 0.38
PTPRC P08575 4/20 0.38
CTSL P07711 1/20 0.37
PTPN13 Q12923 1/20 0.37
TRPM8 Q7Z2W7 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S100A4 P26447 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL4623548 0.81 ALOX5 (0.43) TRPM8ALDH1A1LMNASMN1; SMN2MCHR1
SCHEMBL4623203 0.76 NPC1 (0.43) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL2244942 0.75 NPC1 (0.42) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL4369267 0.75 SRD5A2 (0.46) HTR7HTR2BTRPM8ALDH1A1GAA
SCHEMBL2248130 0.74 TAS2R14 (0.39) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL4622938 0.74 HTR7 (0.39) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL2246521 0.73 HTR7 (0.40) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL4621072 0.73 SMN1; SMN2 (0.40) HTR7HTR2BTTRPTPRCCTSL
SCHEMBL5651552 0.71 TRPM8 (0.45) TRPM8NPC1RAB9AALDH1A1GAA
SCHEMBL2249422 0.67 HPGDS (0.59) HTR7HTR2BTTRPTPRCCTSL

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