SCHEMBL6796296

SCHEMBL6796296

O=C(CC(O)NC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)c(F)c1)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGAV P06756 3/20 0.41
ITGA2B P08514 3/20 0.41
NPY2R P49146 6/20 0.40
MTTP P55157 3/20 0.40
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
F10 P00742 1/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC8 Q9BY41 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
SCHEMBL6798772 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL6796293 0.84 ITGB3 (0.48) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382678 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL7544338 0.79 ITGB3 (0.41) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382848 0.78 ITGB3 (0.42) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL6798758 0.77 ITGB3 (0.53) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382771 0.77 GAA (0.46) ITGB3ITGAVITGA2BMAPTLMNA
SCHEMBL384053 0.77 ITGB3 (0.41) ITGB3ITGAVITGA2BMAPTLMNA
SCHEMBL383239 0.76 ITGB3 (0.55) ITGB3ITGAVITGA2BNPY2RMTTP
SCHEMBL382676 0.75 ITGB3 (0.52) ITGB3ITGAVITGA2BNPY2RMTTP

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