SCHEMBL2280666

SCHEMBL2280666

C[C@@]1(N2Cc3ccc(-c4ccc(Nc5ccc(C(F)(F)F)cc5)cc4)cc3C2=O)CCC[C@@H]1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.39
TDP2 O95551 1/20 0.36
FPR2 P25090 3/20 0.35
FPR1 P21462 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
OPRD1 P41143 1/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 1/20 0.34
APOB P04114 2/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
MTTP P55157 1/20 0.34
MCHR1 Q99705 1/20 0.33
P2RY14 Q15391 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL2198162 0.80 TDP2 (0.42) DGAT1TDP2HRH3BRD4CREBBP
SCHEMBL2280669 0.79 DGAT1 (0.37) DGAT1TDP2FPR2FPR1OPRD1
SCHEMBL2279512 0.77 MCHR1 (0.39) DGAT1TDP2OPRD1BRD4CREBBP
SCHEMBL2197280 0.75 DGAT1 (0.41) DGAT1FPR2FPR1BRD4CREBBP
SCHEMBL2196467 0.74 MCHR1 (0.39) DGAT1TDP2FPR2FPR1BRD4
SCHEMBL2196468 0.74 MCHR1 (0.39) DGAT1TDP2FPR2FPR1BRD4
SCHEMBL2197176 0.73 KIF11 (0.38) DGAT1KIF11
SCHEMBL2181794 0.72 MEN1 (0.47) DGAT1APOBMCHR1P2RY14
SCHEMBL2296052 0.72 SDCBP (0.43) DGAT1BRD4CREBBP
SCHEMBL2180710 0.72 MEN1 (0.48) DGAT1MCHR1P2RY14

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