SCHEMBL7400705

SCHEMBL7400705

CC1CN(c2ccncc2)CCN1c1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
HRH3 Q9Y5N1 13/20 0.48
ACACB O00763 1/20 0.46
HRH1 P35367 4/20 0.44
GSK3B P49841 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HRH2 P25021 2/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9277628 0.88 HRH3 (0.46) ITGB3ITGA2BHRH3ACACBHRH1
SCHEMBL8603764 0.86 ITGB3 (0.47) ITGB3ITGA2BHRH3ACACBHRH1
SCHEMBL7334548 0.85 ITGB3 (0.62) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7402483 0.84 ITGB3 (0.44) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL7396532 0.83 ITGB3 (0.44) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL8890373 0.81 ITGB3 (0.60) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL27462632 0.77 HRH3 (0.44) HRH3ACACBHRH1GSK3BHRH2
SCHEMBL7335391 0.76 HRH3 (0.50) ITGB3ITGA2BHRH3HRH1HRH2
SCHEMBL27930045 0.75 MAPT (0.53) GSK3BMAPT
Hydrochloric Acid SCHEMBL8634754 0.74 GSK3B (0.45) GSK3BCYP1A2CYP3A4MAPT

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-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