SCHEMBL7403290

SCHEMBL7403290

CCCCS(=O)(=O)NC(CC(=O)OC)c1ccc(OCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
ACACB O00763 12/20 0.41
F10 P00742 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
SPHK1 Q9NYA1 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
SCHEMBL7405887 0.93 ITGB3 (0.47) ITGB3ITGA2BACACBF10GPR119
SCHEMBL7396907 0.84 ALDH1A1 (0.45) ITGB3ITGA2BACACBF10
SCHEMBL7402982 0.82 ITGB3 (0.50) ITGB3ITGA2BACACBF10GPR119
SCHEMBL7402980 0.82 ITGB3 (0.50) ITGB3ITGA2BACACBF10GPR119
SCHEMBL7395332 0.82 ITGB3 (0.57) ITGB3ITGA2BACACBF10GPR119
SCHEMBL7395334 0.82 ITGB3 (0.57) ITGB3ITGA2BACACBF10GPR119
SCHEMBL7336334 0.80 F10 (0.46) ITGB3ITGA2BACACBF10
SCHEMBL7395507 0.79 ACACB (0.45) ACACB
Hydrochloric Acid SCHEMBL7329011 0.79 F10 (0.47) ITGB3ITGA2BACACBF10
SCHEMBL7326264 0.76 ITGB3 (0.46) ITGB3ITGA2BACACBF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed