SCHEMBL14969256

SCHEMBL14969256

CCOC(=O)C1CC(Oc2cnc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c(F)c3)cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.45
KCNH2 Q12809 5/20 0.44
SOAT1 P35610 1/20 0.44
ADORA2A P29274 2/20 0.38
ATR Q13535 1/20 0.37
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37

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
SCHEMBL14968362 0.91 DGAT1 (0.44) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14969285 0.89 DGAT1 (0.53) DGAT1KCNH2SOAT1ADORA2AATR
SCHEMBL14969147 0.89 DGAT1 (0.53) DGAT1KCNH2SOAT1ADORA2AATR
SCHEMBL14969148 0.89 DGAT1 (0.53) DGAT1KCNH2SOAT1ADORA2AATR
SCHEMBL14969335 0.87 DGAT1 (0.40) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971870 0.85 DGAT1 (0.46) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971677 0.84 DGAT1 (0.64) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14969212 0.80 DGAT1 (0.52) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971844 0.80 DGAT1 (0.52) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14969271 0.80 DGAT1 (0.52) 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