SCHEMBL4633264

SCHEMBL4633264

Cc1cn(C)nc1C(=O)Nc1ccc(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.57
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SOAT2 O75908 1/20 0.44
SOAT1 P35610 2/20 0.43
FAAH O00519 1/20 0.42
CHRM2 P08172 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL180558 0.84 DGAT1 (0.56) DGAT1SOAT2SOAT1
SCHEMBL180942 0.84 DGAT1 (0.62) DGAT1SOAT2SOAT1
SCHEMBL180908 0.82 DGAT1 (0.57) DGAT1SOAT2SOAT1
SCHEMBL180779 0.81 DGAT1 (0.58) DGAT1RAB9ASOAT2SOAT1
SCHEMBL180618 0.81 DGAT1 (0.67) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180995 0.80 DGAT1 (0.61) DGAT1SOAT2
SCHEMBL181043 0.80 DGAT1 (0.60) DGAT1ALDH1A1RAB9ASOAT1
SCHEMBL180682 0.79 DGAT1 (0.53) DGAT1SOAT2SOAT1
SCHEMBL14617033 0.78 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL180687 0.78 DGAT1 (0.66) DGAT1SOAT1

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
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO disclosed