SCHEMBL8045537

SCHEMBL8045537

N=C(N)c1cc(O)ccc1N1CCN(C2CCN(CC(=O)O)CC2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.51
ITGA2B P08514 9/20 0.51
ALOX15 P16050 1/20 0.50
F10 P00742 5/20 0.34
F2 P00734 4/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
SRC P12931 1/20 0.33
ABL2 P42684 1/20 0.33
PRSS1 P07477 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8034809 0.89 ABL1 (0.40) ITGB3ITGA2BALOX15ABL1EGFR
SCHEMBL8044047 0.87 ITGB3 (0.38) ITGB3ITGA2BALOX15F10F2
SCHEMBL8034558 0.79 ITGB3 (0.74) ITGB3ITGA2BALOX15F10PRSS1
SCHEMBL8034394 0.78 ITGB3 (0.42) ITGB3ITGA2BALOX15ABL1EGFR
SCHEMBL8043655 0.77 ITGB3 (0.41) ITGB3ITGA2BALOX15F10F2
SCHEMBL8043710 0.75 ITGB3 (0.40) ITGB3ITGA2BALOX15ALDH1A1
SCHEMBL8052283 0.71 ITGB3 (0.42) ITGB3ITGA2BALOX15
SCHEMBL8045526 0.71 ITGB3 (0.56) ITGB3ITGA2BALOX15F10PRSS1
SCHEMBL8323744 0.70 ITGB3 (0.65) ITGB3ITGA2BALOX15ALDH1A1
SCHEMBL8784809 0.70 ITGB3 (0.73) ITGB3ITGA2BALOX15F10PRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057324-A HAVE GPIIB/IIIA RECEPTOR ANTAGONIZING ACTIVITY AND ARE USEFUL FOR AMELIORATING ISCHEMIC CARDIAC DISORDERS, FOR AMELIORATING CEREBROVASCULAR DISORDERS, AND FOR AMELIORATING PERIPHERAL ARTERY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD (JP) 2000-05-02 US disclosed
EP-0905129-A1 SUBSTITUTED AMIDINOBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-03-31 EP disclosed