SCHEMBL7354097

SCHEMBL7354097

CC1CC(=O)c2c(Sc3cccs3)ccc(-c3cccc[n+]3[O-])c2C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.67
GABRB3 P28472 10/20 0.67
GABRA5 P31644 10/20 0.67
GABRA3 P34903 10/20 0.67
GABRA2 P47869 10/20 0.67
GABRA1 P14867 9/20 0.64
PTGS2 P35354 1/20 0.34
PDE7A Q13946 2/20 0.30
STAT3 P40763 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
SCHEMBL7349704 0.85 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358332 0.80 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7361014 0.74 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7352428 0.66 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355615 0.63 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358466 0.61 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL28547988 0.61 LMNA (0.52) PDE7A
SCHEMBL7349707 0.60 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355146 0.59 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7353297 0.59 GABRG2 (1.00) 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