SCHEMBL7349707

SCHEMBL7349707

CCSc1ccc(-c2nccs2)c2c1C(=O)CC(C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 15/20 1.00
GABRB3 P28472 15/20 1.00
GABRA5 P31644 15/20 1.00
GABRA3 P34903 14/20 1.00
GABRA2 P47869 14/20 1.00
GABRA1 P14867 13/20 1.00
LRRK2 Q5S007 1/20 0.33
GABRG3 Q99928 1/20 0.33
STAT3 P40763 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL7355615 0.87 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358343 0.86 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358312 0.85 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358938 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7352148 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7351801 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7353570 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7351376 0.83 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355146 0.83 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7359709 0.82 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA3GABRA2

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