SCHEMBL3980249

SCHEMBL3980249

CCOC(=O)c1c(N)sc(-c2ccccc2)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 9/20 0.73
MAPT P10636 9/20 0.61
ALDH1A1 P00352 5/20 0.61
HPGD P15428 4/20 0.61
GAA P10253 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GPR55 Q9Y2T6 2/20 0.58
POLB P06746 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ADORA1 P30542 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 3/20 0.49
RAB9A P51151 2/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.46
XBP1 P17861 1/20 0.46
GRM5 P41594 1/20 0.46

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
SCHEMBL3974628 0.92 GRM6 (0.61) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL3974612 0.92 GRM6 (0.61) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL3974186 0.92 GRM6 (0.61) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL3975104 0.91 GRM6 (0.60) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL3981712 0.89 GRM6 (0.57) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL4087642 0.89 GRM6 (0.57) GRM6MAPTALDH1A1HPGDGAA
SCHEMBL4090650 0.82 ADORA1 (0.77) GRM6MAPTALDH1A1ADORA1MEN1
SCHEMBL4076833 0.79 ADORA1 (0.66) GRM6MAPTALDH1A1ADORA1MEN1
SCHEMBL4086503 0.79 ADORA1 (0.72) GRM6MAPTALDH1A1ADORA1MEN1
SCHEMBL3974619 0.78 ADORA1 (0.67) GRM6MAPTALDH1A1ADORA1MEN1

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
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed