SCHEMBL7874147

SCHEMBL7874147

Cc1cccc(C(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CCC(C)(C)[Si](O)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
CNR2 P34972 1/20 0.37
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
P2RX7 Q99572 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
RBP4 P02753 2/20 0.31
GRM5 P41594 1/20 0.31
PPARG P37231 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN11 Q06124 1/20 0.31
CSF1R P07333 1/20 0.30
PDE2A O00408 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
SCHEMBL7867668 0.82 HCRTR2 (0.46) HCRTR1HCRTR2
SCHEMBL607942 0.81 CNR2 (0.39) PDE10ACNR2HCRTR1HCRTR2MAPT
SCHEMBL7866579 0.79 HCRTR2 (0.41) HCRTR1HCRTR2
SCHEMBL607973 0.78 PDE10A (0.41) PDE10ACNR2HCRTR1HCRTR2MAPT
SCHEMBL7864504 0.77 HCRTR2 (0.54) HCRTR1HCRTR2
SCHEMBL7870512 0.74 SRC (0.37) KMT2AMEN1
SCHEMBL16592215 0.71 POLB (0.43) KMT2AMEN1
SCHEMBL608184 0.68 SCN9A (0.47) HCRTR1HCRTR2
SCHEMBL3385637 0.67 CYP3A4 (0.50) HCRTR1HCRTR2
SCHEMBL611117 0.66 HCRTR2 (0.54) HCRTR1HCRTR2

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-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed