SCHEMBL7361535

SCHEMBL7361535

CCSc1ccc(Br)c2c1C(=O)CC(C)C2

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 11/20 0.58
GABRB3 P28472 11/20 0.58
GABRA5 P31644 11/20 0.58
GABRA3 P34903 10/20 0.58
GABRA2 P47869 10/20 0.58
GABRA1 P14867 9/20 0.58
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 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
SCHEMBL7356185 0.83 GABRG2 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349414 0.78 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349566 0.77 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349994 0.76 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7352428 0.75 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7351763 0.74 STAT3 (0.44) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356856 0.74 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358319 0.74 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7354404 0.73 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349676 0.73 GABRG2 (0.70) 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