SCHEMBL4965732

SCHEMBL4965732

CCOC(=O)c1cccc(N2CCC(CN3CCC(Cc4ccc(Cl)c(Cl)c4)CC3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 13/20 0.57
HRH1 P35367 10/20 0.57
KCNH2 Q12809 10/20 0.57
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
OPRK1 P41145 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
SCHEMBL4965938 0.87 CCR3 (0.71) CCR3HRH1KCNH2KDM4EALDH1A1
SCHEMBL4965148 0.86 HRH1 (0.79) CCR3HRH1KCNH2
SCHEMBL4967350 0.81 HRH1 (0.59) CCR3HRH1KCNH2MAPTOPRK1
SCHEMBL4968615 0.75 HRH1 (0.78) CCR3HRH1KCNH2
SCHEMBL25787103 0.75 SMN1; SMN2 (0.58) CCR3KDM4EALDH1A1SMN1; SMN2OPRK1
SCHEMBL6507440 0.74 ATM (0.57) MAPTALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL242325 0.74 ATM (0.57) MAPTALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL6501171 0.73 ATM (0.56) MAPTALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL4965723 0.73 CCR3 (0.57) CCR3HRH1KCNH2MAPT
SCHEMBL4967633 0.73 HRH1 (1.00) CCR3HRH1KCNH2

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