SCHEMBL6951830

SCHEMBL6951830

CC(=O)Nc1cc(CCC(=O)O)ccn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 12/20 0.54
L3MBTL1 Q9Y468 1/20 0.46
MAPK14 Q16539 5/20 0.46
AURKA O14965 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL23015674 0.86 NR3C2 (0.55) NR3C2L3MBTL1MAPK14
SCHEMBL6952630 0.85 NR3C2 (0.52) NR3C2L3MBTL1MAPK14
SCHEMBL29166048 0.85 NR3C2 (0.52) NR3C2MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL3544821 0.82 GCK (0.53) NR3C2
SCHEMBL6806625 0.82 NR3C2 (0.49) NR3C2MAPK14
SCHEMBL5908257 0.81 NR3C2 (0.47) NR3C2NPC1RAB9ASMN1; SMN2
SCHEMBL29507273 0.81 L3MBTL1 (0.52) NR3C2L3MBTL1MAPK14AURKAGSK3A
SCHEMBL501285 0.81 L3MBTL1 (0.52) NR3C2L3MBTL1MAPK14AURKAGSK3A
SCHEMBL7671508 0.81 L3MBTL1 (0.52) NR3C2L3MBTL1MAPK14AURKAGSK3A
SCHEMBL91333 0.81 RIOK2 (0.57) NR3C2L3MBTL1AURKAGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed