SCHEMBL183567

SCHEMBL183567

O=C(O)CC1CCC(c2ccc(-c3ccnc(Nc4cccc(F)c4)n3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.57
CDC7 O00311 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
PIK3CG P48736 3/20 0.51
CAMKK2 Q96RR4 3/20 0.51
MAPK8 P45983 2/20 0.51
GSK3B P49841 2/20 0.51
SOAT1 P35610 1/20 0.49
CAMK2D Q13557 2/20 0.48
PIK3CA P42336 1/20 0.47
CAMKK1 Q8N5S9 1/20 0.46

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
SCHEMBL15062884 0.86 DGAT1 (0.59) DGAT1SOAT1
SCHEMBL180787 0.85 DGAT1 (0.64) DGAT1SOAT1
SCHEMBL13664059 0.85 DGAT1 (0.64) DGAT1SOAT1
SCHEMBL16546762 0.85 DGAT1 (0.64) DGAT1SOAT1
SCHEMBL181062 0.83 DGAT1 (0.70) DGAT1SOAT1
SCHEMBL13664073 0.83 DGAT1 (0.70) DGAT1SOAT1
SCHEMBL14617028 0.83 DGAT1 (0.70) DGAT1SOAT1
SCHEMBL180791 0.81 CYP1A1 (0.54) DGAT1
SCHEMBL180572 0.81 MEN1 (0.57) DGAT1SOAT1
SCHEMBL181036 0.78 DGAT1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402318-A1 DGAT inhibitors Novartis AG (CH) 2012-01-04 EP disclosed