SCHEMBL6532967

SCHEMBL6532967

Cc1c(CCl)cnn1-c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 15/20 0.44
MCHR1 Q99705 13/20 0.44
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SMO Q99835 1/20 0.40
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL6532686 0.84 NPBWR1 (0.54) NPBWR1MCHR1DRD2DRD4DRD3
SCHEMBL5904813 0.80 SMO (0.57) DRD2DRD4DRD3SMOP2RX7
SCHEMBL10176262 0.77 SMO (0.55) NPBWR1MCHR1DRD2DRD4DRD3
SCHEMBL22924531 0.77 NPBWR1 (0.44) NPBWR1MCHR1ALDH1A1LMNASMN1; SMN2
SCHEMBL20712771 0.76 NPBWR1 (0.46) NPBWR1MCHR1ALDH1A1LMNASMN1; SMN2
SCHEMBL8470679 0.71 NOTUM (0.54) DRD2DRD4DRD3SMOP2RX7
SCHEMBL15167628 0.71 MAPK1 (0.55) NPBWR1MCHR1ALDH1A1LMNASMN1; SMN2
SCHEMBL6533834 0.70 NPBWR1 (0.52) NPBWR1MCHR1ALDH1A1CYP2C9
SCHEMBL27497189 0.69 NPBWR1 (0.49) NPBWR1MCHR1ALDH1A1LMNASMN1; SMN2
SCHEMBL4544365 0.68 SMN1; SMN2 (0.49) NPBWR1MCHR1DRD2DRD4DRD3

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