SCHEMBL8043655

SCHEMBL8043655

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
ALOX15 P16050 3/20 0.40
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
PRMT1 Q99873 1/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 6/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 2/20 0.35
PTGER4 P35408 1/20 0.34
HSP90AA1 P07900 1/20 0.34
TSHR P16473 2/20 0.34
F2 P00734 1/20 0.33
F10 P00742 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
SCHEMBL8043710 0.95 ITGB3 (0.40) ITGB3ITGA2BALOX15SRD5A1SRD5A2
SCHEMBL8044047 0.90 ITGB3 (0.38) ITGB3ITGA2BALOX15ALDH1A1SMN1; SMN2
SCHEMBL8034394 0.88 ITGB3 (0.42) ITGB3ITGA2BALOX15SRD5A1SRD5A2
SCHEMBL8044020 0.83 ITGB3 (0.55) ITGB3ITGA2BALOX15F2F10
Hydrochloric Acid SCHEMBL8034450 0.82 ALOX15 (0.56) ITGB3ITGA2BALOX15F2F10
SCHEMBL8034809 0.81 ABL1 (0.40) ITGB3ITGA2BALOX15ALDH1A1
SCHEMBL8045537 0.77 ITGB3 (0.51) ITGB3ITGA2BALOX15ALDH1A1F2
SCHEMBL8044034 0.76 ITGB3 (0.42) ITGB3ITGA2BALOX15ALDH1A1POLB
SCHEMBL8688555 0.76 ITGB3 (0.54) ITGB3ITGA2BALOX15ALDH1A1POLB
SCHEMBL8043652 0.75 ITGB3 (0.41) ITGB3ITGA2BALOX15ALDH1A1POLB

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