SCHEMBL7954446

SCHEMBL7954446

[CH2]NC(=O)c1ccccc1OCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.65
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
CYP3A4 P08684 2/20 0.64
NR1I2 O75469 1/20 0.64
CHRM2 P08172 1/20 0.64
ADRA2A P08913 1/20 0.64
OPRK1 P41145 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
FAAH O00519 1/20 0.60
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
TSHR P16473 3/20 0.58
HCRTR1 O43613 2/20 0.56
ALDH1A1 P00352 1/20 0.55
HIF1A Q16665 1/20 0.54

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
SCHEMBL7956527 0.98 KMT2A (0.67) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL7966210 0.95 TSHR (0.63) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL7952958 0.91 MEN1 (0.60) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL7954452 0.86 NPSR1 (0.67) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL7959716 0.85 HCRTR1 (0.73) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL5083225 0.85 KMT2A (0.73) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL9425861 0.85 MEN1 (0.68) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL19248825 0.85 KMT2A (0.68) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL28907971 0.85 MEN1 (0.68) NPSR1KMT2AMEN1LMNAMAPT
SCHEMBL7956531 0.85 KMT2A (0.68) NPSR1KMT2AMEN1LMNAMAPT

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
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed