SCHEMBL7254158

SCHEMBL7254158

FC(F)(F)Oc1ccc(CBr)cc1.Nc1[nH]c(=O)c(C(=O)NCC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.51
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
CCR2 P41597 2/20 0.46
GSK3B P49841 2/20 0.45
CHRM4 P08173 4/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 2/20 0.43
KCNH2 Q12809 2/20 0.42
CACNA1I Q9P0X4 2/20 0.42
SCN7A Q01118 1/20 0.42
SCN5A Q14524 1/20 0.42

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
SCHEMBL6327299 0.96 HTR4 (0.54) HTR4CHRM2CHRM1CHRM5CHRM3
SCHEMBL7257582 0.89 HTR4 (0.61) HTR4CCR2DRD2DRD4DRD3
SCHEMBL7259058 0.88 KCNH2 (0.56) HTR4CCR2DRD2DRD4DRD3
SCHEMBL6336300 0.86 CCR2 (0.59) HTR4CCR2GSK3BCHRM4DRD2
SCHEMBL7257655 0.85 CCR2 (0.49) HTR4CCR2GSK3BCHRM4DRD2
SCHEMBL7254822 0.85 HTR4 (0.49) HTR4CCR2CHRM4DRD2DRD4
SCHEMBL6329186 0.84 HTR4 (0.66) HTR4CCR2DRD2DRD4DRD3
SCHEMBL6329068 0.84 HTR4 (0.56) HTR4CCR2DRD2DRD4DRD3
SCHEMBL7257704 0.84 HTR4 (0.54) HTR4CCR2DRD2DRD4DRD3
SCHEMBL6331358 0.83 HTR4 (0.58) HTR4CHRM4DRD2DRD4DRD3

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
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO disclosed