SCHEMBL7355016

SCHEMBL7355016

CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 14/20 1.00
GABRB3 P28472 14/20 1.00
GABRA5 P31644 14/20 1.00
GABRA3 P34903 13/20 1.00
GABRA2 P47869 13/20 1.00
GABRA1 P14867 12/20 1.00
MAOA P21397 1/20 0.35
PTGS2 P35354 1/20 0.33
BUB1 O43683 1/20 0.31
STAT3 P40763 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7358466 0.84 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7353297 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356856 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7359571 0.80 GABRG2 (0.70) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7354097 0.78 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7351990 0.77 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7349798 0.77 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7356851 0.77 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7359877 0.77 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7355669 0.76 GABRG2 (0.77) 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