SCHEMBL9080243

SCHEMBL9080243

C=CCC1CN(c2ccncc2)CCN1c1ccc(OCCCC(=O)OCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.42
FAAH O00519 1/20 0.41
HRH1 P35367 2/20 0.39
HRH2 P25021 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPT P10636 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL7396532 0.88 ITGB3 (0.44) HRH3HRH1HRH2ITGB3ITGA2B
SCHEMBL9277628 0.85 HRH3 (0.46) HRH3FAAHHRH1HRH2ITGB3
SCHEMBL7334450 0.83 HRH3 (0.57) HRH3FAAHHRH1HRH2ITGB3
SCHEMBL8889829 0.80 HRH3 (0.58) HRH3FAAHHRH1HRH2ITGB3
SCHEMBL8603764 0.78 ITGB3 (0.47) HRH3HRH1HRH2ITGB3ITGA2B
SCHEMBL8633838 0.75 CHKA (0.34) ITGB3ITGA2BMAPT
SCHEMBL7333032 0.75 HRH3 (0.47) HRH3FAAHHRH1HRH2ITGB3
SCHEMBL8635810 0.74 NPSR1 (0.34) HRH3ITGB3ITGA2B
SCHEMBL7400705 0.73 ITGB3 (0.50) HRH3HRH1HRH2ITGB3ITGA2B
SCHEMBL7403373 0.73 FAAH (0.54) HRH3FAAHHRH1HRH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed