SCHEMBL10113685

SCHEMBL10113685

O=C(O)c1cccc(OCC2CCN(c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cn3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 1.00
SOAT1 P35610 2/20 0.79
CYP3A4 P08684 1/20 0.79
SOAT2 O75908 1/20 0.61
DGAT2 Q96PD7 1/20 0.61
NR1H4 Q96RI1 4/20 0.56

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
SCHEMBL10113678 0.93 DGAT1 (0.87) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113661 0.90 DGAT1 (0.89) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113360 0.89 DGAT1 (0.94) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113443 0.88 DGAT1 (0.90) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113122 0.88 DGAT1 (0.85) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113679 0.88 DGAT1 (1.00) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113662 0.88 DGAT1 (0.81) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113425 0.88 DGAT1 (0.83) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113364 0.88 DGAT1 (0.92) DGAT1SOAT1CYP3A4SOAT2DGAT2
SCHEMBL10113434 0.87 DGAT1 (0.91) 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