SCHEMBL6797319

SCHEMBL6797319

O=C(NCC[C@H](O)C(=O)O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.64
ITGAV P06756 14/20 0.64
ITGA2B P08514 11/20 0.64
HPGDS O60760 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CASR P41180 2/20 0.38
ADRB3 P13945 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
SCHEMBL6793124 0.91 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL383017 0.85 ITGB3 (0.70) ITGB3ITGAVITGA2BHPGDS
SCHEMBL7474768 0.83 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL6797331 0.82 ITGB3 (0.58) ITGB3ITGAVITGA2BADRB3
SCHEMBL6793131 0.82 ITGB3 (0.59) ITGB3ITGAVITGA2BCASRADRB3
SCHEMBL6796225 0.81 CASR (0.44) ITGB3ITGAVITGA2BHPGDSCNR1
SCHEMBL6797761 0.81 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL383018 0.79 ITGB3 (0.59) ITGB3ITGAVITGA2BCASR
SCHEMBL30856555 0.79 ITGB3 (0.65) ITGB3ITGAVITGA2BADRB3
SCHEMBL27360378 0.79 ITGB3 (0.65) ITGB3ITGAVITGA2BADRB3

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