SCHEMBL7996030

SCHEMBL7996030

O=C1OC(COc2ccc3c(c2)OCO3)CN1C1=CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.43
SIGMAR1 Q99720 4/20 0.43

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
SCHEMBL7996006 0.80 GRM2 (0.42) GRM2
SCHEMBL2823357 0.80 GRM2 (0.70) GRM2SIGMAR1
SCHEMBL8005952 0.77 GRM2 (0.57) GRM2
SCHEMBL8008771 0.77 GRM2 (0.53) GRM2
SCHEMBL7068128 0.74 SIGMAR1 (0.51) GRM2SIGMAR1
SCHEMBL7068542 0.72 GRM2 (0.50) GRM2SIGMAR1
SCHEMBL8007853 0.71 GRM2 (0.38) GRM2
SCHEMBL29728149 0.70 GRM2 (0.38) GRM2
SCHEMBL8008592 0.69 GRM2 (0.42) GRM2
SCHEMBL7094941 0.68 ALDH1A1 (0.59) SIGMAR1

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