SCHEMBL6532804

SCHEMBL6532804

CC(C)c1ccc(-n2cc(CO)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.43
MCHR1 Q99705 2/20 0.43
NOTUM Q6P988 2/20 0.42
MTOR P42345 1/20 0.41
ESRRA P11474 5/20 0.40
DRD4 P21917 4/20 0.39
HTR2C P28335 2/20 0.39
EGLN1 Q9GZT9 2/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.37
KCNH2 Q12809 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
SCHEMBL22902147 0.85 NOTUM (0.44) NPBWR1MCHR1NOTUMMTORESRRA
SCHEMBL12194623 0.83 ACACB (0.39) DRD4HTR2CDRD2DRD3KCNH2
SCHEMBL6533713 0.81 NOTUM (0.51) NPBWR1NOTUMDRD4HTR2CDRD2
SCHEMBL6533912 0.81 DRD4 (0.55) NOTUMDRD4HTR2CDRD2DRD3
SCHEMBL6530604 0.80 LMNA (0.41) DRD4HTR2CDRD2DRD3KCNH2
SCHEMBL22902068 0.79 NOTUM (0.50) NOTUMMTORESRRAEGLN1
SCHEMBL28980400 0.78 MEN1 (0.41) DRD4HTR2CDRD2DRD3KCNH2
SCHEMBL15180418 0.78 DRD4 (0.52) NOTUMMTORDRD4HTR2CDRD2
SCHEMBL2412911 0.78 GAA (0.58) NOTUMDRD4HTR2CDRD2DRD3
SCHEMBL1930732 0.77 GABRA1 (0.43) DRD4HTR2CDRD2DRD3KCNH2

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed