SCHEMBL6942397

SCHEMBL6942397

CCOC(=O)CC1Cc2cc(O)ccc2CN(CCc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
HRH4 Q9H3N8 1/20 0.41
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HSD17B1 P14061 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL6946919 0.89 ITGB3 (0.49) ITGB3ITGA2BHRH4TSHRSIGMAR1
SCHEMBL6950238 0.85 ITGB3 (0.46) ITGB3ITGA2BHRH4OPRM1
SCHEMBL7445038 0.84 ITGB3 (0.46) ITGB3ITGA2BHRH4TSHROPRM1
SCHEMBL6420263 0.83 ITGB3 (0.56) ITGB3ITGA2BOPRM1OPRK1
SCHEMBL6420268 0.83 ITGB3 (0.56) ITGB3ITGA2BOPRM1OPRK1
SCHEMBL6951463 0.82 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL538078 0.77 ITGB3 (0.47) ITGB3ITGA2BOPRM1HSD17B1
SCHEMBL538357 0.77 ITGB3 (0.47) ITGB3ITGA2BOPRM1HSD17B1
SCHEMBL6675207 0.76 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL6674870 0.76 ITGB3 (0.62) ITGB3ITGA2B

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
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed