SCHEMBL6798772

SCHEMBL6798772

O=C(O)CC(O)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.44
ITGAV P06756 3/20 0.44
ITGA2B P08514 3/20 0.44
GAA P10253 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPY2R P49146 1/20 0.40
MTTP P55157 1/20 0.40
USP30 Q70CQ3 2/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
ALOX15 P16050 2/20 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
SCHEMBL382678 0.90 ITGB3 (0.44) ITGB3ITGAVITGA2BGAAFFAR4
SCHEMBL6796296 0.87 ITGB3 (0.41) ITGB3ITGAVITGA2BGAAFFAR4
SCHEMBL7544338 0.87 ITGB3 (0.41) ITGB3ITGAVITGA2BGAAFFAR4
SCHEMBL382848 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BGAAFFAR4
SCHEMBL6796559 0.84 CASR (0.45) ITGB3ITGAVITGA2BEPHX2
SCHEMBL383239 0.84 ITGB3 (0.55) ITGB3ITGAVITGA2BGAAFFAR4
SCHEMBL6798758 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BGAAFFAR4
SCHEMBL382771 0.83 GAA (0.46) ITGB3ITGAVITGA2BGAAHDAC8
SCHEMBL382037 0.83 ITGB3 (0.55) ITGB3ITGAVITGA2BFFAR4NPY2R
SCHEMBL384053 0.83 ITGB3 (0.41) ITGB3ITGAVITGA2BFFAR4HPGD

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