SCHEMBL16660845

SCHEMBL16660845

Cc1nc(-c2ccc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)nc2)n(COCCS(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.49
SOAT1 P35610 2/20 0.44
FAAH O00519 1/20 0.41
CHRM2 P08172 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL16787853 0.89 DGAT1 (0.62) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL16660895 0.81 DGAT1 (0.71) DGAT1
SCHEMBL16661340 0.77 DGAT1 (0.59) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL16787840 0.73 DGAT1 (0.58) DGAT1SOAT1
SCHEMBL16661339 0.72 DGAT1 (0.60) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL16661335 0.71 DGAT1 (0.43) DGAT1SOAT1
SCHEMBL16660856 0.69 DGAT1 (0.68) DGAT1
SCHEMBL180618 0.67 DGAT1 (0.67) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL902157 0.67 DGAT1 (0.75) DGAT1SOAT1
SCHEMBL16787659 0.67 DGAT1 (0.85) DGAT1

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-2862856-A1 AROMATIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-04-22 EP disclosed