SCHEMBL6796559

SCHEMBL6796559

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.45
▸ DRD2 P14416 8/20 0.45
▸ DRD3 P35462 8/20 0.45
▸ ITGB3 P05106 2/20 0.43
▸ ITGAV P06756 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA5 P08648 1/20 0.43
▸ ITGB5 P18084 1/20 0.43
▸ HDAC1 Q13547 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ ME3 Q16798 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
SCHEMBL6796240 0.90 DRD2 (0.43) CASRDRD2DRD3ITGB3ITGAV
SCHEMBL382964 0.89 CASR (0.45) CASRDRD2DRD3ITGB3ITGAV
SCHEMBL382117 0.86 DRD2 (0.44) CASRDRD2DRD3ITGB3ITGAV
SCHEMBL6800173 0.86 CASR (0.43) CASRDRD2DRD3ITGB3ITGAV
SCHEMBL6798772 0.84 ITGB3 (0.44) ITGB3ITGAVITGA2BEPHX2
SCHEMBL6799312 0.82 RAB9A (0.55) —
SCHEMBL27551456 0.82 ITGB3 (0.51) CASRDRD2DRD3ITGB3ITGAV
SCHEMBL382764 0.82 ITGB3 (0.51) CASRDRD2DRD3ITGB3ITGAV
SCHEMBL6796554 0.81 ITGB3 (0.49) CASRDRD2DRD3ITGB3ITGAV
SCHEMBL382410 0.81 ITGB3 (0.44) CASRDRD2DRD3ITGB3ITGAV

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
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