SCHEMBL7254822

SCHEMBL7254822

N#Cc1ccc(CBr)cc1.N#Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)c(N)[nH]c3=O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.49
KCNH2 Q12809 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
DRD3 P35462 2/20 0.42
CHRM4 P08173 1/20 0.42
CCR2 P41597 1/20 0.41
ACHE P22303 1/20 0.41
PRKAA2 P54646 1/20 0.41
F10 P00742 1/20 0.40
CXCR3 P49682 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39

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
SCHEMBL6335672 0.96 HTR4 (0.52) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL7259058 0.89 KCNH2 (0.56) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL7257582 0.89 HTR4 (0.61) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329182 0.87 HTR4 (0.47) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329068 0.86 HTR4 (0.56) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL7254158 0.85 HTR4 (0.51) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329186 0.84 HTR4 (0.66) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329791 0.84 KCNH2 (0.61) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6336876 0.84 HTR4 (0.54) HTR4KCNH2CACNA1IDRD2DRD4
SCHEMBL6329269 0.84 DRD2 (0.58) HTR4DRD2DRD4DRD3ACHE

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