SCHEMBL7259161

SCHEMBL7259161

COc1nc(N)c(Cl)cc1C(CC=O)C1CCN(CC(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
AKT1 P31749 1/20 0.33
DRD2 P14416 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PDK1 Q15118 1/20 0.31
CFD P00746 1/20 0.30
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL7259062 0.87 HTR4 (0.40) DRD2
SCHEMBL7257990 0.82 KCNH2 (0.41) KCNH2AKT1DRD2HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL7254030 0.82 SLC6A2 (0.40)
SCHEMBL7257987 0.72 DRD2 (0.44) KCNH2DRD2
SCHEMBL7254208 0.71 KCNH2 (0.41) KCNH2DRD2TLR9TLR8TLR7
SCHEMBL6328978 0.71 HTR4 (0.54)
SCHEMBL4437515 0.69 HTR4 (0.54)
SCHEMBL7254150 0.69 HTR4 (0.45)
SCHEMBL7257840 0.69 DRD2 (0.35) KCNH2DRD2
SCHEMBL7254109 0.64 SLC6A2 (0.47) AKT1DRD2

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