SCHEMBL19430280

SCHEMBL19430280

C[C@H](CS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.48
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47

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
SCHEMBL19430539 0.90 GRIN2A (0.56) GRIN2BGRIN1GRIN2AGPBAR1MEN1
SCHEMBL20087595 0.88 GRIN2B (0.63) GRIN2BGRIN1GRIN2AGPBAR1GABRA1
SCHEMBL20087704 0.88 GRIN2B (0.63) GRIN2BGRIN1GRIN2AGPBAR1GABRA1
SCHEMBL26403321 0.86 GPBAR1 (0.64) GPBAR1
SCHEMBL19430542 0.86 GPBAR1 (0.64) GPBAR1
SCHEMBL25479009 0.86 GPBAR1 (0.64) GPBAR1
SCHEMBL20087694 0.86 GPBAR1 (0.64) GPBAR1
SCHEMBL20087697 0.86 GPBAR1 (0.64) GPBAR1
SCHEMBL19430279 0.83 GPBAR1 (0.63) GPBAR1MEN1KMT2A
SCHEMBL26401888 0.81 GPBAR1 (0.45) GRIN2BGRIN1GPBAR1MEN1KMT2A

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-2017173358-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2017-10-05 WO disclosed