SCHEMBL6800173

SCHEMBL6800173

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 5/20 0.43
▸ DRD2 P14416 8/20 0.42
▸ DRD3 P35462 8/20 0.42
▸ ITGB3 P05106 3/20 0.39
▸ ITGA2B P08514 3/20 0.39
▸ ITGAV P06756 2/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ DGAT1 O75907 1/20 0.35

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
SCHEMBL7540526 0.91 DRD2 (0.41) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL7544338 0.86 ITGB3 (0.41) ITGB3ITGA2BITGAV
SCHEMBL6796559 0.86 CASR (0.45) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL382964 0.83 CASR (0.45) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL6800147 0.82 ITGB3 (0.45) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL382117 0.80 DRD2 (0.44) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL7540509 0.80 CASR (0.42) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL6796240 0.80 DRD2 (0.43) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL6801456 0.78 DRD2 (0.41) CASRDRD2DRD3ITGB3ITGA2B
SCHEMBL382410 0.77 ITGB3 (0.44) CASRDRD2DRD3ITGB3ITGA2B

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
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