SCHEMBL6801474

SCHEMBL6801474

CC(C)(C)OC(CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)(C(=O)O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD3 P35462 7/20 0.41
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
DGAT1 O75907 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGDS O60760 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL6799981 0.91 DRD2 (0.40) DRD2DRD3KDM4EITGB3ITGAV
SCHEMBL6797617 0.87 ITGB3 (0.42) LMNAMAPTITGB3ITGAVITGA2B
SCHEMBL6800334 0.85 DRD2 (0.43) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL383009 0.84 DRD2 (0.42) DRD2DRD3LMNAMAPTKDM4E
SCHEMBL6801456 0.80 DRD2 (0.41) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL381721 0.80 ITGB3 (0.40) DRD2DRD3MAPTKDM4EITGB3
SCHEMBL6800147 0.79 ITGB3 (0.45) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6799972 0.79 DRD2 (0.40) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL383161 0.79 ITGB3 (0.47) DRD2DRD3MAPTITGB3ITGAV
SCHEMBL382447 0.78 ITGB3 (0.48) DRD2DRD3MAPTITGB3ITGAV

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
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US claimed
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US disclosed