SCHEMBL27769403

SCHEMBL27769403

NCc1ccccc1Nc1nc(-c2ccc(C3CCC(CC(=O)O)CC3)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.52
RAB9A P51151 1/20 0.43
FAAH O00519 1/20 0.43
CHRM2 P08172 1/20 0.43
SOAT1 P35610 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL4942376 0.88 DGAT1 (0.53) DGAT1RAB9A
SCHEMBL180686 0.88 DGAT1 (0.50) DGAT1RAB9A
SCHEMBL4933344 0.88 DGAT1 (0.50) DGAT1RAB9AFAAHCHRM2SOAT1
SCHEMBL4939307 0.87 DGAT1 (0.50) DGAT1SOAT1
SCHEMBL27769401 0.83 RAB9A (0.44) RAB9A
SCHEMBL27769670 0.83 RAB9A (0.46) RAB9A
SCHEMBL4939205 0.80 ALOX5 (0.56) DGAT1RAB9ASOAT1
SCHEMBL4494798 0.79 ALOX5 (0.57) DGAT1SOAT1
SCHEMBL180791 0.79 CYP1A1 (0.54) DGAT1RAB9A
SCHEMBL4939728 0.79 DGAT1 (0.56) 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
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN claimed
CN-101636155-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-01-27 CN disclosed