SCHEMBL7450753

SCHEMBL7450753

O=C(O)CC1CN(CCc2ccccc2)Cc2ccc(C(=O)O)cc2N1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.69
ITGA2B P08514 15/20 0.69
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.40
DRD4 P21917 1/20 0.39
ITGAV P06756 1/20 0.39

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
SCHEMBL7450755 1.00 ITGB3 (0.69) ITGB3ITGA2BOPRM1OPRD1OPRK1
SCHEMBL7440009 0.86 ITGB3 (0.61) ITGB3ITGA2BOPRM1OPRD1OPRK1
SCHEMBL7440013 0.86 ITGB3 (0.61) ITGB3ITGA2BOPRM1OPRD1OPRK1
SCHEMBL7437403 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7437406 0.82 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7437422 0.80 ITGB3 (0.77) ITGB3ITGA2BITGAV
SCHEMBL7395607 0.79 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL7395612 0.79 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677549 0.77 ITGB3 (0.70) ITGB3ITGA2BITGAV
SCHEMBL6677554 0.77 ITGB3 (0.70) ITGB3ITGA2BITGAV

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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