SCHEMBL8043652

SCHEMBL8043652

CCOC(=O)CN1CCC(N2CCN(c3ccc(C(=N)NC(=O)OCC)cc3)C(=O)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
ALOX15 P16050 2/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TACR1 P25103 1/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
GSK3B P49841 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL8043708 0.96 ITGB3 (0.41) ITGB3ITGA2BALOX15MEN1RAB9A
SCHEMBL8044034 0.91 ITGB3 (0.42) ITGB3ITGA2BALOX15MEN1RAB9A
SCHEMBL8034391 0.89 ITGB3 (0.43) ITGB3ITGA2BALOX15HRH3ALDH1A1
SCHEMBL8044020 0.87 ITGB3 (0.55) ITGB3ITGA2BALOX15MEN1RAB9A
Hydrochloric Acid SCHEMBL8034450 0.86 ALOX15 (0.56) ITGB3ITGA2BALOX15MEN1RAB9A
SCHEMBL8034797 0.82 ITGB3 (0.44) ITGB3ITGA2BALOX15HRH3ALDH1A1
SCHEMBL8043231 0.81 HRH3 (0.43) MEN1RAB9AKMT2AHRH3KCNH2
SCHEMBL7337516 0.81 ITGB3 (0.64) ITGB3ITGA2BALOX15MEN1KMT2A
SCHEMBL7341525 0.80 ITGB3 (0.49) ITGB3ITGA2BALOX15MEN1KMT2A
Hydrochloric Acid SCHEMBL8043473 0.79 ALOX15 (0.58) ITGB3ITGA2BALOX15HRH3KCNH2

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