SCHEMBL531228

SCHEMBL531228

C[C@@H](C(=O)c1cc(F)cc(F)c1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17965952 0.85 PGR (0.57) MEN1KMT2APGRADRA2AADRA2B
SCHEMBL1506535 0.82 TACR1 (0.48) MEN1KMT2ATRPM8
SCHEMBL531388 0.78 KMT2A (0.49) MEN1KMT2APGRADRA2AADRA2B
SCHEMBL532486 0.78 KMT2A (0.49) MEN1KMT2APGRADRA2AADRA2B
SCHEMBL19349131 0.76 MEN1 (0.61) MEN1KMT2AMMP1MMP3ALDH1A1
SCHEMBL532302 0.76 MEN1 (0.47) MEN1KMT2ASCN5ASCN9ATRPM8
SCHEMBL532301 0.76 MEN1 (0.47) MEN1KMT2ASCN5ASCN9ATRPM8
SCHEMBL15812249 0.75 KMT2A (0.59) MEN1KMT2AMMP1MMP3ALDH1A1
SCHEMBL15670744 0.75 KMT2A (0.59) MEN1KMT2AMMP1MMP3ALDH1A1
SCHEMBL5163796 0.73 CES2 (0.50) MEN1KMT2AADRA2BTRPM8SLC6A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed