SCHEMBL7399322

SCHEMBL7399322

CCCC(C(=O)c1ccc(OCC(=O)O)cc1)N1CCN(c2ccncc2)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
HRH3 Q9Y5N1 8/20 0.42
SLC6A3 Q01959 6/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 1/20 0.38
HRH1 P35367 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
SCHEMBL7401716 0.87 ITGB3 (0.50) ITGB3ITGA2BHRH3KCNH2HRH1
SCHEMBL7335413 0.75 ITGB3 (0.52) ITGB3ITGA2BHRH3KCNH2HRH1
Hydrochloric Acid SCHEMBL7399509 0.75 ITGB3 (0.51) ITGB3ITGA2BHRH3KCNH2HRH1
Hydrochloric Acid SCHEMBL7395167 0.74 ITGB3 (0.56) ITGB3ITGA2BHRH3HRH1
SCHEMBL8634522 0.73 HRH3 (0.47) ITGB3ITGA2BHRH3KCNH2HRH1
SCHEMBL17644175 0.73 SLC6A3 (0.73) SLC6A3SLC6A2SLC6A4
SCHEMBL9229983 0.70 PTGDR2 (0.37) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9080887 0.70 ITGB3 (0.58) ITGB3ITGA2BHRH3HRH1
SCHEMBL7400055 0.70 ITGB3 (0.54) ITGB3ITGA2BHRH3HRH1
SCHEMBL7327928 0.69 HRH3 (0.59) ITGB3ITGA2BHRH3HRH1

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 5 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
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 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