SCHEMBL13664741

SCHEMBL13664741

O=C1CCc2cc(N3CC4(CC4)CNCC3=O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.60
SLC6A4 P31645 6/20 0.60
SLC6A3 Q01959 6/20 0.60
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSD17B1 P14061 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
GRM5 P41594 1/20 0.33
CYP11B2 P19099 2/20 0.32
MAOB P27338 1/20 0.32
ROCK2 O75116 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP11B1 P15538 1/20 0.31
ACACA Q13085 1/20 0.31
PGR P06401 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
SCHEMBL13664738 0.73 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3ACACA
SCHEMBL13664713 0.70 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HSD17B10MAOB
SCHEMBL8257474 0.65 ADRB1 (0.47) SLC6A4CASP1CASP7HSD17B10CYP1A2
SCHEMBL5185280 0.64 CASP1 (0.49) SLC6A2SLC6A4SLC6A3CASP1CASP7
SCHEMBL1853918 0.64 HSD17B10 (0.52) CASP1CASP7HSD17B10HSD17B1HRH3
SCHEMBL1725142 0.64 HSD17B10 (0.52) CASP1CASP7HSD17B10HSD17B1HRH3
SCHEMBL1862715 0.64 HSD17B10 (0.52) CASP1CASP7HSD17B10HSD17B1HRH3
SCHEMBL2437598 0.62 CASP1 (0.49) CASP1CASP7HSD17B10HSD17B1HRH3
SCHEMBL18499535 0.61 BCAT2 (0.56) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL14400287 0.61 CASP1 (0.45) SLC6A2SLC6A4SLC6A3CASP1CASP7

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed