SCHEMBL17697479

SCHEMBL17697479

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.71
GRIN2B Q13224 5/20 0.71
GRIN2D O15399 2/20 0.71
GRIN2A Q12879 2/20 0.71
GRIN2C Q14957 2/20 0.71
G6PD P11413 7/20 0.57
GABRP O00591 2/20 0.55
GABRD O14764 2/20 0.55
GABRA1 P14867 2/20 0.55
GABRB1 P18505 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRA4 P48169 2/20 0.55
GABRE P78334 2/20 0.55
GABRA6 Q16445 2/20 0.55
GABRG1 Q8N1C3 2/20 0.55

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
SCHEMBL8134278 1.00 GRIN1 (0.71) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19253320 0.86 GRIN1 (0.67) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL19253322 0.86 GRIN1 (0.67) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL8134280 0.86 GRIN1 (0.67) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL7353812 0.85 GRIN2D (0.53) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL7353816 0.85 GRIN2D (0.53) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL16407519 0.84 GRIN1 (0.49) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL783063 0.84 GRIN1 (0.85) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL24703701 0.83 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C
SCHEMBL8075513 0.83 GRIN1 (1.00) GRIN1GRIN2BGRIN2DGRIN2AGRIN2C

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-2016061527-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. (US) 2016-04-21 WO disclosed