SCHEMBL8043710

SCHEMBL8043710

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.36
OPRL1 P41146 1/20 0.35
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
BACE1 P56817 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR7 P34969 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
SCHEMBL8043655 0.95 ITGB3 (0.41) ITGB3ITGA2BALOX15ALDH1A1USP2
SCHEMBL8034394 0.93 ITGB3 (0.42) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL8044047 0.88 ITGB3 (0.38) ITGB3ITGA2BALOX15ALDH1A1RAB9A
SCHEMBL8034809 0.83 ABL1 (0.40) ITGB3ITGA2BALOX15ALDH1A1OPRL1
SCHEMBL8044020 0.82 ITGB3 (0.55) ITGB3ITGA2BALOX15RAB9A
Hydrochloric Acid SCHEMBL8034450 0.81 ALOX15 (0.56) ITGB3ITGA2BALOX15RAB9A
SCHEMBL8043708 0.77 ITGB3 (0.41) ITGB3ITGA2BALOX15ALDH1A1KDM4E
SCHEMBL8044034 0.77 ITGB3 (0.42) ITGB3ITGA2BALOX15ALDH1A1RAB9A
SCHEMBL8045537 0.75 ITGB3 (0.51) ITGB3ITGA2BALOX15ALDH1A1
Hydrochloric Acid SCHEMBL8043473 0.75 ALOX15 (0.58) 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