SCHEMBL7368305

SCHEMBL7368305

CN1c2ccc(C(=O)NCc3cc4ccccc4[nH]3)cc2CNC(=O)C1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.60
ITGAV P06756 17/20 0.60
ITGA2B P08514 5/20 0.43
METTL3 Q86U44 1/20 0.41
METTL14 Q9HCE5 1/20 0.41
SSTR3 P32745 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7078805 0.78 TSHR (0.43) ITGB3ITGAVITGA2BTP53MAPT
SCHEMBL7338175 0.75 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7398023 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7367179 0.75 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7368298 0.75 ITGB3 (0.59) ITGB3ITGAVITGA2BMETTL3METTL14
SCHEMBL7360585 0.72 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7401266 0.72 TSHR (0.43) ITGB3ITGA2BTP53
SCHEMBL7919242 0.72 TSHR (0.43) ITGB3ITGA2BTP53
SCHEMBL7368068 0.71 CDK4 (0.51)
SCHEMBL5785504 0.71 SSTR3 (0.60) ITGB3ITGAVMETTL3METTL14SSTR3

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 3 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