SCHEMBL8044047

SCHEMBL8044047

CCOC(=O)CN1CCC(N2CCN(c3ccc(O)cc3C(=N)N)C(=O)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
ALOX15 P16050 1/20 0.38
F2 P00734 2/20 0.35
BACE1 P56817 1/20 0.34
GAA P10253 2/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
SRC P12931 1/20 0.32
ABL2 P42684 1/20 0.32
F10 P00742 1/20 0.32

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 0.91 ABL1 (0.40) ITGB3ITGA2BALOX15GAAGSK3B
SCHEMBL8043655 0.90 ITGB3 (0.41) ITGB3ITGA2BALOX15F2SMN1; SMN2
SCHEMBL8043710 0.88 ITGB3 (0.40) ITGB3ITGA2BALOX15BACE1SMN1; SMN2
SCHEMBL8045537 0.87 ITGB3 (0.51) ITGB3ITGA2BALOX15F2ALDH1A1
SCHEMBL8044020 0.81 ITGB3 (0.55) ITGB3ITGA2BALOX15F2MEN1
SCHEMBL8034394 0.81 ITGB3 (0.42) ITGB3ITGA2BALOX15SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8034450 0.80 ALOX15 (0.56) ITGB3ITGA2BALOX15F2MEN1
SCHEMBL8044034 0.74 ITGB3 (0.42) ITGB3ITGA2BALOX15SMN1; SMN2GSK3B
SCHEMBL8688555 0.73 ITGB3 (0.54) ITGB3ITGA2BALOX15F2SMN1; SMN2
Hydrochloric Acid SCHEMBL8045554 0.73 BACE1 (0.36) ITGB3ITGA2BALOX15F2BACE1

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-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 claimed
EP-0905129-A1 SUBSTITUTED AMIDINOBENZENE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-03-31 EP claimed
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