SCHEMBL2224009

SCHEMBL2224009

COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cn3)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
DGAT1 O75907 6/20 0.39
MTOR P42345 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CSGALNACT1 Q8TDX6 1/20 0.37

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
SCHEMBL2180394 1.00 HTR2A (0.40) HTR2AHTR2CLMNATP53DGAT1
SCHEMBL2177914 0.92 DGAT1 (0.44) HTR2AHTR2CLMNATP53DGAT1
SCHEMBL13718763 0.92 DGAT1 (0.44) HTR2AHTR2CLMNATP53DGAT1
SCHEMBL2178261 0.86 MAPT (0.43) HTR2AHTR2CLMNATP53DGAT1
SCHEMBL2180429 0.85 LMNA (0.43) LMNATP53DGAT1THRBMEN1
SCHEMBL2178455 0.84 LMNA (0.40) HTR2AHTR2CLMNATP53DGAT1
SCHEMBL2176926 0.81 DGAT1 (0.43) LMNATP53DGAT1THRBMAPT
SCHEMBL13718779 0.81 DGAT1 (0.43) LMNATP53DGAT1THRBMAPT
SCHEMBL2177496 0.80 KDR (0.42) LMNADGAT1KDRMEN1KMT2A
SCHEMBL2364244 0.80 KDR (0.42) LMNADGAT1KDRMEN1KMT2A

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