SCHEMBL180176

SCHEMBL180176

COC(=O)[C@](C)(Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.84
CCR3 P51677 20/20 0.84
KCNH2 Q12809 10/20 0.61

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
SCHEMBL180372 1.00 HRH1 (0.84) HRH1CCR3KCNH2
SCHEMBL180313 0.91 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180179 0.91 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL180312 0.91 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180180 0.86 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL21316093 0.85 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL18841193 0.85 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180396 0.84 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL27717243 0.84 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL180199 0.84 HRH1 (0.85) 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