SCHEMBL3390126

SCHEMBL3390126

CCOc1nn(-c2ccncc2)c2c1CN(Cc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 12/20 0.45
C5AR1 P21730 1/20 0.43
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PNMT P11086 1/20 0.38

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
SCHEMBL3390729 0.89 CLPP (0.46) CLPPC5AR1DRD2DRD4DRD3
SCHEMBL3390016 0.89 CLPP (0.45) CLPPC5AR1DRD2DRD4DRD3
SCHEMBL3391586 0.85 C5AR1 (0.43) CLPPC5AR1DRD2DRD4DRD3
SCHEMBL17156366 0.77 HTT (0.43) CLPPC5AR1DRD2DRD4DRD3
SCHEMBL3385404 0.71 C5AR1 (0.48) CLPPC5AR1DRD4PNMT
SCHEMBL10657990 0.71 CHRM3 (0.57) C5AR1DRD2DRD4DRD3PNMT
SCHEMBL3391569 0.71 ACHE (0.49) C5AR1DRD2DRD4DRD3PNMT
SCHEMBL31414261 0.69 ADORA1 (0.47)
SCHEMBL3391761 0.69 CLPP (0.53) CLPP
SCHEMBL3389927 0.68 SLC6A5 (0.51) C5AR1DRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed