SCHEMBL174454

SCHEMBL174454

CCOC(=O)CC1CCC(c2ncc(-c3ccc(Nc4ccc(Cl)cc4Cl)cc3)s2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
DHODH Q02127 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SRC P12931 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
DGAT1 O75907 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL173668 0.88 DGAT1 (0.45) CNR2CYP2D6CYP2C9CYP2C19DGAT1
SCHEMBL174183 0.81 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1GAAJAK2
SCHEMBL161358 0.78 DGAT1 (0.52) DGAT1MAPTSMN1; SMN2KDR
SCHEMBL161469 0.78 DGAT1 (0.49) DHODHMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL161945 0.78 DGAT1 (0.51) DHODHMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL163102 0.77 L3MBTL1 (0.42) DHODHMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL162246 0.76 DGAT1 (0.41) DHODHMEN1KMT2AL3MBTL1JAK2
SCHEMBL173905 0.76 DGAT1 (0.52) ALDH1A1GAAJAK2JAK1TYK2
SCHEMBL160518 0.75 DGAT1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL163875 0.75 DGAT1 (0.44) MEN1KMT2AL3MBTL1JAK2JAK1

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