SCHEMBL6796554

SCHEMBL6796554

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
ITGAV P06756 3/20 0.49
DRD2 P14416 7/20 0.45
DRD3 P35462 7/20 0.45
EPHX2 P34913 1/20 0.42
CASR P41180 4/20 0.42
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB5 P18084 1/20 0.41
HPGDS O60760 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL6796225 0.90 CASR (0.44) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL28747046 0.89 ITGB3 (0.49) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL382962 0.89 ITGB3 (0.49) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL7459047 0.88 ITGB3 (0.53) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6798758 0.84 ITGB3 (0.53) ITGB3ITGA2BITGAVEPHX2SMN1; SMN2
SCHEMBL381767 0.84 ITGB3 (0.51) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6800147 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVDRD2DRD3
SCHEMBL6799038 0.82 NPC1 (0.55) ITGB3ITGA2BMEN1ALDH1A1KMT2A
SCHEMBL382134 0.82 ITGB3 (0.73) ITGB3ITGA2BITGAV
SCHEMBL6796559 0.81 CASR (0.45) ITGB3ITGA2BITGAVDRD2DRD3

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
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
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