SCHEMBL7514694

SCHEMBL7514694

COc1cccc(OCC(O)CN2CCC(Oc3ccc(F)c(F)c3)C2)c1CC=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.44
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.41
HRH1 P35367 2/20 0.41
CCR3 P51677 2/20 0.41
CCR1 P32246 1/20 0.41
TSHR P16473 1/20 0.41
HTR1A P08908 4/20 0.41
SLC6A4 P31645 2/20 0.41
USP2 O75604 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
CACNA1G O43497 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL7511867 0.91 DRD4 (0.48) DRD4DRD2DRD3TSHRUSP2
SCHEMBL7506361 0.89 DRD4 (0.48) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7507260 0.88 CCR3 (0.54) DRD4DRD2HRH1CCR3CCR1
SCHEMBL6212264 0.88 DRD4 (0.49) DRD4DRD2DRD3HRH1CCR3
SCHEMBL6213426 0.86 DRD4 (0.44) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7506440 0.84 DRD4 (0.54) DRD4DRD2DRD3HRH1CCR3
SCHEMBL7509383 0.83 DRD2 (0.45) DRD4DRD2DRD3HRH1CCR3
SCHEMBL6213645 0.81 ABCB1 (0.56) DRD4DRD2HRH1CCR3CCR1
SCHEMBL6213685 0.80 ABCB1 (0.57) DRD4DRD2DRD3HRH1CCR3
SCHEMBL6211304 0.79 CCR3 (0.44) 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