SCHEMBL3391586

SCHEMBL3391586

CCOc1nn(-c2ccccn2)c2c1CN(Cc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.43
CLPP Q16740 12/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL17156366 0.92 HTT (0.43) C5AR1CLPPMAPTNPC1HTT
SCHEMBL3390126 0.85 CLPP (0.45) C5AR1CLPPDRD2DRD4DRD3
SCHEMBL3390729 0.83 CLPP (0.46) C5AR1CLPPDRD2DRD4DRD3
SCHEMBL3390016 0.82 CLPP (0.45) C5AR1CLPPDRD2DRD4DRD3
SCHEMBL23648644 0.73 MEN1 (0.46) C5AR1CLPPMAPTNPC1HTT
SCHEMBL29871083 0.73 MEN1 (0.46) C5AR1CLPPMAPTNPC1HTT
SCHEMBL29871610 0.73 C5AR1 (0.46) C5AR1CLPPMAPTNPC1HTT
SCHEMBL23648628 0.73 C5AR1 (0.46) C5AR1CLPPMAPTNPC1HTT
SCHEMBL23648607 0.71 MAPT (0.44) MAPTNPC1HTTRAB9A
SCHEMBL29871084 0.71 MAPT (0.44) MAPTNPC1HTTRAB9A

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