SCHEMBL27617540

SCHEMBL27617540

N#Cc1cccc(C2C=CC(C=O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.44
DRD3 P35462 10/20 0.44
TSHR P16473 2/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP1 P29466 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL4676940 0.73 DRD2 (0.44) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL29683775 0.73 DRD2 (0.50) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL8688588 0.72 DRD2 (0.51) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL4875328 0.70 DRD2 (0.67) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL4699946 0.69 DRD2 (0.45) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL31523251 0.67 DRD2 (0.73) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL2227921 0.66 DRD2 (0.71) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL4674179 0.66 DRD2 (0.56) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL21358194 0.65 DRD2 (0.47) DRD2DRD3TSHRCYP2D6NFKB1
SCHEMBL31332598 0.65 DRD2 (0.51) DRD2DRD3TSHRCYP2D6NFKB1

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
CN-1617718-A N-aryl-N'-arylcycloalkyl-urea derivatives as MCH antagonists for the treatment of obesity SCHERING CORP (US) 2005-05-18 CN disclosed