SCHEMBL1722009

SCHEMBL1722009

O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccc(-c3coc(Nc4cccc(Cl)c4)n3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.60
CAMK2D Q13557 1/20 0.43
KMT2A Q03164 2/20 0.41
ALOX5 P09917 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
GLA P06280 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL180868 0.81 DGAT1 (0.60) DGAT1KMT2A
SCHEMBL180932 0.81 DGAT1 (0.60) DGAT1KMT2A
SCHEMBL180931 0.81 DGAT1 (0.60) DGAT1KMT2A
SCHEMBL180532 0.80 DGAT1 (0.62) DGAT1
SCHEMBL180533 0.80 DGAT1 (0.62) DGAT1
SCHEMBL180531 0.80 DGAT1 (0.62) DGAT1
SCHEMBL1447834 0.78 DGAT1 (0.68) DGAT1CAMK2D
SCHEMBL180651 0.78 DGAT1 (0.68) DGAT1CAMK2D
SCHEMBL4890892 0.77 DGAT1 (0.96) DGAT1KMT2AMEN1
SCHEMBL182564 0.76 DGAT1 (0.52) DGAT1CAMK2DKMT2AMEN1PKM

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
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed