SCHEMBL8005699

SCHEMBL8005699

O=C1COc2cc(OC[C@@H]3CN(c4ccccc4)C(=O)O3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.67
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2827612 1.00 GRM2 (0.67) GRM2MAOAMAOBMEN1MAPT
SCHEMBL2823357 0.84 GRM2 (0.70) GRM2
SCHEMBL3744405 0.83 MAOB (0.56) GRM2MAOAMAOBMEN1MAPT
SCHEMBL2823305 0.81 GRM2 (1.00) GRM2
SCHEMBL2824605 0.80 GRM2 (0.76) GRM2
SCHEMBL2830372 0.79 GRM2 (0.76) GRM2
SCHEMBL8114677 0.79 GRM2 (0.85) GRM2
SCHEMBL2823046 0.79 GRM2 (0.90) GRM2
SCHEMBL2823430 0.79 GRM2 (0.85) GRM2
SCHEMBL2823858 0.78 GRM2 (0.79) GRM2

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-2009094265-A1 3,5-SUBSTITUTED-1,3-OXAZOLIDIN-2-ONE DERIVATIVES MERCK & CO., INC. (US) 2009-07-30 WO disclosed