SCHEMBL14972153

SCHEMBL14972153

CS(=O)(=O)c1ccc2nc(-c3ccc(-c4ccc(OC5CCC(C(=O)O)CC5)nc4)cc3F)[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.77
KCNH2 Q12809 6/20 0.57
SOAT1 P35610 2/20 0.57
ADORA2A P29274 2/20 0.49
SCD O00767 3/20 0.49
FADS1 O60427 1/20 0.47

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
SCHEMBL14971619 0.89 DGAT1 (0.77) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14972157 0.87 DGAT1 (0.75) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971706 0.87 DGAT1 (0.71) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971636 0.86 DGAT1 (0.78) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971293 0.85 DGAT1 (0.66) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971704 0.85 DGAT1 (0.76) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14972154 0.84 DGAT1 (0.59) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971673 0.84 DGAT1 (0.59) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14972158 0.83 DGAT1 (0.59) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971867 0.83 DGAT1 (0.60) DGAT1KCNH2SOAT1ADORA2A

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-2013074387-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed