SCHEMBL7359238

SCHEMBL7359238

CC1CC(=O)c2c(OS(=O)(=O)C(F)(F)F)ccc(-c3nccs3)c2C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.56
GABRG2 P18507 9/20 0.56
GABRB3 P28472 9/20 0.56
GABRA5 P31644 9/20 0.56
GABRA3 P34903 9/20 0.56
GABRA2 P47869 9/20 0.56
DRD2 P14416 3/20 0.33
STAT3 P40763 1/20 0.33
BRD4 O60885 2/20 0.32
SLC6A9 P48067 1/20 0.31

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
SCHEMBL7354537 0.82 GABRG2 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7354407 0.82 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355336 0.78 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7350948 0.78 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7359714 0.76 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355224 0.76 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355615 0.74 GABRG2 (0.78) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7349707 0.72 GABRG2 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7355146 0.70 GABRG2 (0.70) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7358343 0.68 GABRG2 (0.76) GABRA1GABRG2GABRB3GABRA5GABRA3

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
US-6156761-A Substituted tetralone derivatives for enhancing cognition MERCK SHARPE & DOHME LIMITED (GB) 2000-12-05 US disclosed