SCHEMBL14971553

SCHEMBL14971553

Fc1ccc(-c2cc(F)c(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c(F)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 12/20 0.52
▸ DGAT1 O75907 7/20 0.47
▸ KCNH2 Q12809 6/20 0.45
▸ SOAT1 P35610 3/20 0.42
▸ CBFB Q13951 1/20 0.41

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
SCHEMBL10326024 0.88 NPBWR1 (0.62) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL4559600 0.88 NPBWR1 (0.55) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL14971543 0.83 NPC1 (0.48) NPBWR1DGAT1CBFB
SCHEMBL14971639 0.77 DGAT1 (0.70) DGAT1KCNH2SOAT1
SCHEMBL14971539 0.77 DGAT1 (0.70) DGAT1KCNH2SOAT1
SCHEMBL15231992 0.76 DGAT1 (0.47) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL10326325 0.75 NPBWR1 (0.55) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15231864 0.75 NPBWR1 (0.84) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15245185 0.75 DGAT1 (0.63) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL4566490 0.74 NPC1 (0.60) NPBWR1DGAT1KCNH2SOAT1

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
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