SCHEMBL7952958

SCHEMBL7952958

[CH2]NC(=O)c1ccccc1OCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HIF1A Q16665 1/20 0.60
HCRTR1 O43613 2/20 0.58
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 3/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.51
BRD4 O60885 1/20 0.51

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
SCHEMBL7966210 0.92 TSHR (0.63) MEN1KMT2AHIF1AHCRTR1TSHR
SCHEMBL7954446 0.91 NPSR1 (0.65) MEN1KMT2AHIF1AHCRTR1TSHR
SCHEMBL7956527 0.89 KMT2A (0.67) MEN1KMT2AHIF1AHCRTR1TSHR
SCHEMBL7959716 0.88 HCRTR1 (0.73) MEN1KMT2AHCRTR1TSHRNPSR1
SCHEMBL16464436 0.85 MEN1 (0.69) MEN1KMT2AHIF1AHCRTR1TSHR
SCHEMBL7952962 0.85 MEN1 (0.62) MEN1KMT2AHIF1AHCRTR1TSHR
SCHEMBL29053673 0.85 MEN1 (0.62) MEN1KMT2AHIF1AHCRTR1TSHR
SCHEMBL6361361 0.83 MEN1 (0.75) MEN1KMT2AHIF1AHCRTR1TSHR
SCHEMBL11050232 0.81 LMNA (0.55) MEN1KMT2AHIF1AHCRTR1NPSR1
SCHEMBL2452526 0.81 MEN1 (0.58) MEN1KMT2AHIF1AHCRTR1TSHR

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 3 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
CN-1262685-A Naphthyridine derivatives OTSUKA PHARMA CO LTD (JP) 2000-08-09 CN disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed