SCHEMBL7357419

SCHEMBL7357419

CC1CC(=O)c2c(NC(C)C)ccc(-c3ccccn3)c2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.67
GABRB3 P28472 12/20 0.67
GABRA5 P31644 12/20 0.67
GABRA3 P34903 11/20 0.67
GABRA2 P47869 11/20 0.67
GABRA1 P14867 10/20 0.67
MAOA P21397 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.37
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7358004 0.82 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7353297 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7360811 0.79 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358466 0.77 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356856 0.77 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349798 0.75 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7351990 0.75 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356851 0.75 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355669 0.74 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355223 0.73 GABRG2 (0.61) 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