SCHEMBL174553

SCHEMBL174553

CC(C)(C)c1ccc(Nc2ccc(-c3cnc(C4CCC(C(=O)O)CC4)s3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.46
SYK P43405 7/20 0.40
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
LMNA P02545 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
SCHEMBL161218 0.90 DGAT1 (0.56) DGAT1
SCHEMBL173719 0.85 DGAT1 (0.40) DGAT1XDHSLC22A12LMNA
SCHEMBL160753 0.80 DGAT1 (0.52) DGAT1LMNA
SCHEMBL174323 0.80 DGAT1 (0.57) DGAT1
SCHEMBL162401 0.80 DGAT1 (0.58) DGAT1SYK
SCHEMBL173720 0.79 DGAT1 (0.56) DGAT1LMNA
SCHEMBL161973 0.79 DGAT1 (0.69) DGAT1
SCHEMBL161415 0.77 DGAT1 (0.58) DGAT1
SCHEMBL174631 0.77 KMT2A (0.50) LMNA
SCHEMBL160006 0.75 DGAT1 (0.56) 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 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