SCHEMBL4969175

SCHEMBL4969175

Cc1ccc(N2CCC(CN3CCC(Cc4ccc(Cl)cc4)CC3)CC2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HRH1 P35367 2/20 0.47
CCR3 P51677 2/20 0.47
KCNH2 Q12809 2/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
DRD4 P21917 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTT P42858 1/20 0.40
SLC6A3 Q01959 1/20 0.40
OPRM1 P35372 1/20 0.40

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 0.90 CCR3 (0.55) MAPTHRH1CCR3KCNH2LPL
SCHEMBL4969473 0.81 HRH1 (0.57) HRH1CCR3KCNH2
SCHEMBL4969395 0.80 LIPG (0.57) MAPTCCR3LPLLIPGSIGMAR1
SCHEMBL4965105 0.79 CCR3 (0.49) CCR3LPLLIPGOPRM1
SCHEMBL4966936 0.77 HRH1 (0.64) HRH1CCR3KCNH2
SCHEMBL4967383 0.77 HRH1 (0.68) HRH1CCR3KCNH2
SCHEMBL4969428 0.75 SIGMAR1 (0.50) HRH1CCR3KCNH2SLC6A2SLC6A4
SCHEMBL4966840 0.75 HRH1 (0.59) HRH1CCR3KCNH2
SCHEMBL4967412 0.74 CCR3 (0.55) MAPTHRH1CCR3KCNH2LPL
SCHEMBL4969463 0.74 HRH1 (0.63) 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-1625114-B1 Piperidine derivatives for the the treatment of chemokine or H1 mediated diseases ASTRAZENECA AB (SE) 2008-08-27 EP disclosed