SCHEMBL173720

SCHEMBL173720

CC1CCC(c2ncc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.56
TRPV1 Q8NER1 8/20 0.50
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45

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) DGAT1TRPV1
SCHEMBL160753 0.88 DGAT1 (0.52) DGAT1TRPV1HDAC3HDAC11HDAC8
SCHEMBL173719 0.86 DGAT1 (0.40) DGAT1TRPV1LMNA
SCHEMBL174553 0.79 DGAT1 (0.46) DGAT1LMNA
SCHEMBL174087 0.78 KMT2A (0.53) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL162577 0.76 DGAT1 (0.56) DGAT1
SCHEMBL161827 0.76 DGAT1 (0.47) DGAT1
SCHEMBL158327 0.76 DGAT1 (0.47) DGAT1
SCHEMBL165688 0.75 DGAT1 (0.60) DGAT1TRPV1HDAC3HDAC11HDAC8
SCHEMBL161479 0.75 NR1H4 (0.61) DGAT1TRPV1HDAC3HDAC11HDAC8

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