SCHEMBL180199

SCHEMBL180199

COC(=O)[C@@](C)(Cc1ccc(F)cc1)N1CCC(CN2CCC(Oc3ccc(Cl)cc3C)CC2)CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 20/20 0.85
CCR3 P51677 20/20 0.85
KCNH2 Q12809 4/20 0.85

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
SCHEMBL180396 1.00 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL27717243 1.00 HRH1 (0.85) HRH1CCR3KCNH2
SCHEMBL180257 0.93 HRH1 (0.84) HRH1CCR3KCNH2
SCHEMBL30397281 0.92 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180058 0.92 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180012 0.92 HRH1 (1.00) HRH1CCR3KCNH2
SCHEMBL180011 0.92 HRH1 (1.00) HRH1CCR3KCNH2
Water SCHEMBL27717183 0.91 HRH1 (0.98) HRH1CCR3KCNH2
Water SCHEMBL180418 0.91 HRH1 (0.98) HRH1CCR3KCNH2
Alcohol SCHEMBL180256 0.90 HRH1 (0.97) 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-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed
CN-101268049-A Novel piperidine derivatives ASTRAZENECA AB (SE) 2008-09-17 CN disclosed