SCHEMBL6651383

SCHEMBL6651383

CS(=O)(=O)c1c(OC2CCN(CC(O)CN)CC2)ccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 15/20 0.45
CCR3 P51677 15/20 0.45
KCNH2 Q12809 5/20 0.41
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL3285920 1.00 HRH1 (0.45) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL3282566 0.91 HRH1 (0.43) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL3282560 0.91 HRH1 (0.43) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL3302154 0.89 HRH1 (0.44) HRH1CCR3KCNH2
SCHEMBL3282745 0.86 HRH1 (0.42) HRH1CCR3KCNH2DRD2
SCHEMBL3282749 0.86 HRH1 (0.42) HRH1CCR3KCNH2DRD2
SCHEMBL1929589 0.84 HRH1 (0.50) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL3283811 0.83 HRH1 (0.60) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL3283807 0.83 HRH1 (0.60) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL1929113 0.81 CCR3 (0.54) HRH1CCR3KCNH2DRD2DRD4

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-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed