SCHEMBL7329136

SCHEMBL7329136

CN1c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2CNC(=O)C1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
KMT2A Q03164 4/20 0.52
CDK4 P11802 7/20 0.52
CCND1 P24385 7/20 0.52
SIRT1 Q96EB6 3/20 0.51
ACHE P22303 1/20 0.50
NAMPT P43490 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL8359098 0.76 ITGB3 (0.69)
SCHEMBL7364173 0.76 MEN1 (0.52) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL4331421 0.71 MEN1 (1.00) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL8177103 0.70 NPC1 (0.58) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL28448761 0.69 MEN1 (0.77) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL7866515 0.69 MEN1 (0.73) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL14303574 0.69 MEN1 (0.90) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL12194964 0.69 NPC1 (0.74) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL5209374 0.69 SMN1; SMN2 (0.71) MEN1NPC1RAB9AKMT2ACDK4
SCHEMBL29699415 0.69 MEN1 (0.56) MEN1NPC1RAB9AKMT2ACDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP claimed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP claimed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO claimed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed