SCHEMBL176318

SCHEMBL176318

CC1C2(C(=O)O)CC3CC(C2)CC1(c1ncc(-c2ccc(NC(=O)Nc4ccc(F)cc4F)cc2)s1)C3

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.52
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CSGALNACT1 Q8TDX6 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
NTRK1 P04629 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL174155 0.92 DGAT1 (0.51) DGAT1NTRK1KDR
SCHEMBL174029 0.90 EPHX2 (0.41) DGAT1
SCHEMBL176202 0.87 DGAT1 (0.41) DGAT1KDRKMT2A
SCHEMBL161219 0.85 DGAT1 (0.54) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL175829 0.81 DGAT1 (0.50) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL161700 0.76 DGAT1 (0.53) DGAT1NTRK1KMT2A
SCHEMBL164213 0.74 EPHX2 (0.54) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL161756 0.74 EPHX2 (0.42) DGAT1KMT2A
SCHEMBL163047 0.73 DGAT1 (0.51) DGAT1KDRKMT2A
SCHEMBL162546 0.73 DGAT1 (0.49) DGAT1SMN1; SMN2LMNAMAPTNTRK1

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-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed