SCHEMBL4368951

SCHEMBL4368951

O=C1CCCCC12CCN(Cc1c(Cl)cc(OS(=O)(=O)C(F)(F)F)cc1Cl)C2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
SIGMAR1 Q99720 4/20 0.31
DRD2 P14416 2/20 0.30
DRD1 P21728 2/20 0.30
DRD4 P21917 2/20 0.30
DRD5 P21918 2/20 0.30
DRD3 P35462 2/20 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
SCHEMBL1750611 0.79 AOC2 (0.37)
SCHEMBL1428089 0.76 HRH3 (0.41) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1427335 0.68 POLB (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2298736 0.65
SCHEMBL2299173 0.65 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL474701 0.63 HSD11B1 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL474649 0.63 HSD11B1 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2065603 0.62 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2065606 0.62 DRD2 (0.35) DRD2DRD1DRD4DRD5DRD3
SCHEMBL208795 0.62 HSD11B1 (0.48) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035379-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 Eli Lilly & Company (US) 2009-03-18 EP disclosed
WO-2007127763-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed