SCHEMBL6650906

SCHEMBL6650906

CC(=O)O[C@H](CNC(=O)C1=c2ccc(S(C)(=O)=O)cc2=C[N]C1=O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.53
CCR3 P51677 20/20 0.53
KCNH2 Q12809 15/20 0.53
CCR1 P32246 1/20 0.43

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
SCHEMBL2916656 0.80 HRH1 (0.82) HRH1CCR3KCNH2CCR1
SCHEMBL2915320 0.73 CCR3 (0.54) HRH1CCR3KCNH2CCR1
SCHEMBL2919868 0.73 HRH1 (0.76) HRH1CCR3KCNH2CCR1
SCHEMBL2920721 0.73 HRH1 (0.73) HRH1CCR3KCNH2CCR1
SCHEMBL3283926 0.72 HRH1 (0.81) HRH1CCR3KCNH2CCR1
SCHEMBL6129271 0.72 HRH1 (0.81) HRH1CCR3KCNH2CCR1
SCHEMBL2923928 0.71 CCR3 (0.72) HRH1CCR3KCNH2CCR1
SCHEMBL2922740 0.71 HRH1 (0.80) HRH1CCR3KCNH2CCR1
SCHEMBL6129274 0.71 HRH1 (0.80) HRH1CCR3KCNH2CCR1
SCHEMBL2921520 0.70 HRH1 (0.68) HRH1CCR3KCNH2CCR1

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