SCHEMBL2199646

SCHEMBL2199646

COC(=O)C1(N2Cc3ccc(-c4ccc(Nc5ccc(Cl)cc5)cc4)cc3C2=O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MST1R Q04912 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
CAMK1D Q8IU85 1/20 0.36
TDP2 O95551 1/20 0.36
ADAM17 P78536 1/20 0.35
MAPK1 P28482 6/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 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
SCHEMBL2199151 0.96 MAPK1 (0.38) DGAT1JAK2NTRK1METFGFR1
SCHEMBL2179848 0.90 ABCB1 (0.43) GSK3B
SCHEMBL2195168 0.89 DGAT1 (0.36) DGAT1MAPK1BRD4CREBBPMAPT
SCHEMBL2202230 0.89 JAK2 (0.38) DGAT1JAK2NTRK1METFGFR1
SCHEMBL13718913 0.88 ABCB1 (0.43) GSK3B
SCHEMBL2196753 0.87 JAK2 (0.38) DGAT1JAK2NTRK1METFGFR1
SCHEMBL2179478 0.85 ABCB1 (0.44) GSK3B
SCHEMBL2198725 0.84 JAK2 (0.40) DGAT1JAK2NTRK1METFGFR1
SCHEMBL2198291 0.84 TDP2 (0.39) TDP2ADAM17MAPK1SDCBPSDC2
SCHEMBL2199935 0.82 TDP2 (0.39) TDP2ADAM17MAPK1SDCBPSDC2

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-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed