SCHEMBL4965723

SCHEMBL4965723

CCc1c(C(=O)O)cccc1N1CCC(CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 18/20 0.57
HRH1 P35367 13/20 0.57
KCNH2 Q12809 12/20 0.57
MAPT P10636 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41

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
SCHEMBL4966171 0.82 CCR3 (0.55) CCR3HRH1KCNH2MAPT
SCHEMBL4968189 0.81 CCR3 (0.51) CCR3HRH1KCNH2
SCHEMBL4965938 0.78 CCR3 (0.71) CCR3HRH1KCNH2
SCHEMBL4967114 0.73 HRH1 (0.83) CCR3HRH1KCNH2
SCHEMBL4965732 0.73 CCR3 (0.57) CCR3HRH1KCNH2MAPT
SCHEMBL4967412 0.73 CCR3 (0.55) CCR3HRH1KCNH2MAPT
SCHEMBL4970161 0.72 HRH1 (1.00) CCR3HRH1KCNH2
SCHEMBL4969395 0.72 LIPG (0.57) CCR3MAPT
SCHEMBL4969175 0.72 MAPT (0.53) CCR3HRH1KCNH2MAPT
SCHEMBL24076616 0.70 NPFFR1 (0.53) CCR3NPFFR1NPFFR2

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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed