SCHEMBL5048469

SCHEMBL5048469

COC(=O)C(Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3C)CC2)CC1.Cc1c(OC2CCN(CC3CCNCC3)CC2)ccc(Cl)c1Cl

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.79
CCR3 P51677 20/20 0.79
KCNH2 Q12809 8/20 0.65

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
SCHEMBL5048466 1.00 HRH1 (0.79) HRH1CCR3KCNH2
SCHEMBL180038 0.96 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL180036 0.96 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL5006426 0.92 HRH1 (0.79) HRH1CCR3KCNH2
SCHEMBL180185 0.90 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL180015 0.88 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL180014 0.88 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL180119 0.88 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180183 0.88 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180077 0.88 HRH1 (0.69) HRH1CCR3KCNH2

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-1912941-A1 NOVEL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007011293-A1 NOVEL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-25 WO disclosed