SCHEMBL7512915

SCHEMBL7512915

O=CCc1ccccc1OCC(O)CN1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.57
DRD2 P14416 5/20 0.57
DRD3 P35462 3/20 0.57
HRH1 P35367 2/20 0.51
CCR3 P51677 2/20 0.51
CCR1 P32246 1/20 0.51
ADRB2 P07550 5/20 0.50
ADRB1 P08588 5/20 0.50
ADRB3 P13945 5/20 0.50
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7513106 0.94 DRD4 (0.50) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7069082 0.91 DRD4 (0.56) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7517168 0.91 DRD4 (0.58) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7511865 0.86 DRD4 (0.49) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7506440 0.86 DRD4 (0.54) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7510245 0.86 DRD4 (0.51) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7499464 0.84 HRH1 (0.58) DRD4DRD2DRD3HRH1CCR3
SCHEMBL6212329 0.83 DRD4 (0.63) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7508560 0.83 DRD4 (0.57) DRD4DRD2DRD3HRH1CCR3
SCHEMBL6214454 0.83 DRD4 (0.53) DRD4DRD2DRD3HRH1CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263724-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062728-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed