SCHEMBL180485

SCHEMBL180485

Cc1c(Cl)ccc(OC2CCN(C3CCN(C(=O)c4ccc(S(C)(=O)=O)cc4)CC3)CC2)c1Cl

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 16/20 0.80
HRH1 P35367 15/20 0.80
KCNH2 Q12809 3/20 0.60
HRH3 Q9Y5N1 3/20 0.56
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6569519 0.89 CCR3 (1.00) CCR3HRH1KCNH2HRH3L3MBTL3
SCHEMBL6568389 0.85 CCR3 (0.65) CCR3HRH1KCNH2MBTD1L3MBTL3
SCHEMBL6569067 0.82 CCR3 (0.62) CCR3HRH1KCNH2HRH3MBTD1
SCHEMBL5416889 0.80 HRH1 (0.90) CCR3HRH1KCNH2
SCHEMBL5406031 0.80 HRH1 (1.00) CCR3HRH1KCNH2
SCHEMBL6569293 0.80 CCR3 (0.65) CCR3HRH1KCNH2L3MBTL3L3MBTL1
SCHEMBL5414525 0.79 HRH1 (0.87) CCR3HRH1KCNH2
SCHEMBL6568423 0.79 CCR3 (0.63) CCR3HRH1KCNH2MBTD1L3MBTL3
SCHEMBL5424883 0.79 HRH1 (0.86) CCR3HRH1KCNH2
SCHEMBL5403866 0.78 HRH1 (0.80) CCR3HRH1KCNH2HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912941-B1 PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2012-11-14 EP disclosed
EP-2402316-A1 Piperidine derivatives AstraZeneca AB (Publ) (SE) 2012-01-04 EP disclosed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 WO disclosed