SCHEMBL6800147

SCHEMBL6800147

CC(C)(C)O[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGAV P06756 2/20 0.45
ITGA2B P08514 2/20 0.45
DRD2 P14416 7/20 0.42
DRD3 P35462 7/20 0.42
CASR P41180 5/20 0.40
HPGDS O60760 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38

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
SCHEMBL6801434 0.91 ITGB3 (0.43) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7540509 0.91 CASR (0.42) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7544319 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BSMN1; SMN2MEN1
SCHEMBL381767 0.84 ITGB3 (0.51) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6796554 0.84 ITGB3 (0.49) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6799962 0.83 CASR (0.40) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL28747046 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL382962 0.83 ITGB3 (0.49) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL6800173 0.82 CASR (0.43) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7540526 0.80 DRD2 (0.41) ITGB3ITGAVITGA2BDRD2DRD3

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-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP 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
EP-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 EP disclosed