SCHEMBL4058562

SCHEMBL4058562

O=C(O)CC1CCC(c2ccc(-c3ccc(Nc4cccc(OCCl)c4)nn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.49
SOAT1 P35610 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL180946 0.89 DGAT1 (0.50) DGAT1MEN1KMT2A
SCHEMBL180572 0.86 MEN1 (0.57) DGAT1SOAT1MEN1NPC1ALDH1A1
SCHEMBL15445191 0.86 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL13664083 0.86 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL180850 0.86 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL14617040 0.86 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL180704 0.85 DGAT1 (0.55) DGAT1SOAT1
SCHEMBL180833 0.84 DGAT1 (0.52) DGAT1SOAT1
SCHEMBL180623 0.82 DGAT1 (0.48) DGAT1SOAT1KMT2A
SCHEMBL180802 0.82 DGAT1 (0.54) DGAT1SOAT1MEN1NPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO claimed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed