SCHEMBL15564307

SCHEMBL15564307

CCCCCCCCCC(CC(N)=O)(c1ccccc1)c1ncco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
FAAH O00519 4/20 0.36
CES1 P23141 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL15564219 0.81 SCN5A (0.44) SCN5ASCN9AFAAHCES1PPARG
SCHEMBL15564302 0.81 SCN5A (0.44) SCN5ASCN9AFAAHCES1PPARG
SCHEMBL2073780 0.78 SCN5A (0.37) SCN5ASCN9ACES1MEN1LMNA
SCHEMBL15564311 0.75 FAAH (0.40) SCN5ASCN9AFAAHCES1MEN1
SCHEMBL28833568 0.73 SCN5A (0.50) SCN5ASCN9ACES1MEN1LMNA
SCHEMBL5735522 0.70 FAAH (0.42) FAAHCES1S1PR4S1PR1S1PR3
SCHEMBL4740369 0.70 ESR1 (0.53) SCN5ASCN9AMEN1KMT2AGAA
SCHEMBL8978824 0.70 ESR1 (0.53) SCN5ASCN9AMEN1KMT2AGAA
SCHEMBL10448023 0.70 ESR1 (0.53) SCN5ASCN9AMEN1KMT2AGAA
SCHEMBL5135543 0.70 SCN5A (0.72) SCN5ASCN9ACES1MEN1LMNA

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-2882724-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - Science Park S.p.A. (IT) 2015-06-17 EP disclosed
WO-2014023754-A1 COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS THAT ARE AMELIORATED BY INHIBITION OF HDAC IRBM - SCIENCE PARK S.P.A. (IT) 2014-02-13 WO disclosed