SCHEMBL180368

SCHEMBL180368

CCc1c(OC2CCN(CC3CCN([C@H](C(=O)O)C(C)c4ccccc4)CC3)CC2)ccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.57
CCR3 P51677 20/20 0.57
KCNH2 Q12809 9/20 0.53

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
SCHEMBL180268 0.93 HRH1 (0.59) HRH1CCR3KCNH2
SCHEMBL180280 0.90 HRH1 (0.71) HRH1CCR3KCNH2
SCHEMBL180188 0.84 HRH1 (0.81) HRH1CCR3KCNH2
SCHEMBL14110513 0.82 HRH1 (0.77) HRH1CCR3KCNH2
SCHEMBL180197 0.82 HRH1 (0.72) HRH1CCR3KCNH2
SCHEMBL180275 0.81 HRH1 (0.66) HRH1CCR3KCNH2
SCHEMBL180186 0.81 HRH1 (0.72) HRH1CCR3KCNH2
SCHEMBL180078 0.80 HRH1 (0.61) HRH1CCR3KCNH2
SCHEMBL180367 0.80 HRH1 (0.70) HRH1CCR3KCNH2
SCHEMBL180098 0.80 HRH1 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed