SCHEMBL10113800

SCHEMBL10113800

O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCC(COc3cccc(C(=O)O)c3)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.66
SOAT1 P35610 2/20 0.66
CYP3A4 P08684 1/20 0.66
SOAT2 O75908 1/20 0.54
DGAT2 Q96PD7 1/20 0.54
NR4A2 P43354 1/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL10113396 0.84 DGAT1 (0.74) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113814 0.81 DGAT1 (0.61) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113477 0.81 DGAT1 (0.72) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113139 0.80 DGAT1 (0.82) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113679 0.80 DGAT1 (1.00) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113332 0.79 DGAT1 (0.86) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113685 0.79 DGAT1 (1.00) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113418 0.79 DGAT1 (0.90) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10112844 0.78 DGAT1 (0.81) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113342 0.78 DGAT1 (0.81) DGAT1SOAT1CYP3A4SOAT2DGAT2

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-2012024179-A1 SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed