SCHEMBL8034809

SCHEMBL8034809

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.40
EGFR P00533 6/20 0.40
SRC P12931 6/20 0.40
ABL2 P42684 6/20 0.40
LCK P06239 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
ALOX15 P16050 1/20 0.39
MTOR P42345 1/20 0.36
OPRL1 P41146 2/20 0.35
OPRM1 P35372 1/20 0.35
TRPV4 Q9HBA0 1/20 0.33
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CCR8 P51685 1/20 0.31
AOC3 Q16853 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
SCHEMBL8044047 0.91 ITGB3 (0.38) ABL1EGFRSRCABL2LCK
SCHEMBL8034394 0.89 ITGB3 (0.42) ABL1EGFRSRCABL2LCK
SCHEMBL8045537 0.89 ITGB3 (0.51) ABL1EGFRSRCABL2LCK
SCHEMBL8043710 0.83 ITGB3 (0.40) ITGB3ITGA2BALOX15OPRL1ALDH1A1
SCHEMBL8043655 0.81 ITGB3 (0.41) ITGB3ITGA2BALOX15ALDH1A1
Hydrochloric Acid SCHEMBL8043473 0.79 ALOX15 (0.58) ITGB3ITGA2BALOX15
SCHEMBL8034797 0.74 ITGB3 (0.44) ABL1EGFRSRCABL2LCK
SCHEMBL8034391 0.73 ITGB3 (0.43) ABL1EGFRSRCABL2LCK
SCHEMBL8052277 0.71 HRH3 (0.44) ITGB3ITGA2BALOX15
SCHEMBL8044020 0.71 ITGB3 (0.55) ITGB3ITGA2BALOX15

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