SCHEMBL8199545

SCHEMBL8199545

CC(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)c(OCc3ccccc3)cc2C1COc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 3/20 0.51
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
GHSR Q92847 5/20 0.47
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8236839 0.89 GHSR (0.44) GRIN2CGHSR
SCHEMBL5899111 0.89 CYP3A4 (0.48) GRIN2CLMNAGHSR
SCHEMBL17821736 0.78 MTNR1B (0.55) GRIN2CLMNATP53
SCHEMBL8199954 0.77 GHSR (0.48) LMNAGHSR
SCHEMBL5899110 0.77 CYP3A4 (0.51) LMNAGHSR
SCHEMBL8200141 0.77 CYP3A4 (0.51) LMNAGHSR
SCHEMBL12394508 0.76 MTNR1B (0.52) LMNATP53GHSR
SCHEMBL8243627 0.76 GHSR (0.49) GRIN2CLMNAGHSR
SCHEMBL5899098 0.75 GHSR (0.47) LMNAGHSR
SCHEMBL3074432 0.75 GHSR (0.58) GHSR

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-6043253-A TREATMENT OF DIABETES, OBESITY, LOWERING TRIGLYCERIDE OR CHOLESTEROL LEVELS, INCREASING HIGH DENSITY LIPOPROTEIN LEVELS OR DECREASING GUT MOTILITY, REDUCING NEUROGENIC INFLAMMATION, DEPRESSION OR GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 2000-03-28 US disclosed