SCHEMBL7351990

SCHEMBL7351990

CC1CC(=O)c2c(SCc3ccccn3)ccc(-c3ccccn3)c2C1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.78
GABRB3 P28472 12/20 0.78
GABRA5 P31644 12/20 0.78
GABRA3 P34903 11/20 0.78
GABRA2 P47869 11/20 0.78
GABRA1 P14867 10/20 0.78
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.37
MAOA P21397 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL7356851 0.89 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356856 0.88 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7359877 0.86 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349798 0.85 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7353297 0.84 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355669 0.84 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355736 0.84 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7358466 0.81 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7360811 0.78 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355016 0.77 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