SCHEMBL7403779

SCHEMBL7403779

CCC(CCOc1ccc(N2CCN(c3ccncc3)CC2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HRH3 Q9Y5N1 18/20 0.54
HRH1 P35367 6/20 0.47
HRH2 P25021 4/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL8634962 0.90 ITGB3 (0.47) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7994992 0.85 LMNA (0.43) GAA
SCHEMBL9081854 0.79 ITGB3 (0.51) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL9080518 0.78 ITGB3 (0.54) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7393253 0.78 ITGB3 (0.56) ITGB3ITGA2BHRH3ALDH1A1GAA
SCHEMBL7334548 0.77 ITGB3 (0.62) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL8889083 0.76 ITGB3 (0.50) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL8890427 0.76 ITGB3 (0.63) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL8635826 0.76 HRH3 (0.54) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL8890373 0.76 ITGB3 (0.60) ITGB3ITGA2BHRH3HRH1HRH2

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 claimed
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
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