SCHEMBL8005952

SCHEMBL8005952

CCCc1cccc(OCC2CN(C3=CC=CCC3)C(=O)O2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.57
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2823790 0.82 GRM2 (0.84) GRM2
SCHEMBL7996030 0.77 GRM2 (0.43) GRM2
SCHEMBL7996006 0.76 GRM2 (0.42) GRM2
SCHEMBL8008771 0.74 GRM2 (0.53) GRM2MAPK1L3MBTL1
SCHEMBL2823952 0.73 GRM2 (1.00) GRM2
SCHEMBL8008592 0.71 GRM2 (0.42) GRM2
SCHEMBL8007853 0.71 GRM2 (0.38) GRM2POLB
SCHEMBL13251414 0.70 ALDH1A1 (0.68) GRM2KMT2A
SCHEMBL2825762 0.70 GRM2 (0.83) GRM2
SCHEMBL29728149 0.68 GRM2 (0.38) 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