SCHEMBL8714495

SCHEMBL8714495

CCCCN1C2COCC1CC(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 3/20 0.35
TP53 P04637 2/20 0.35
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CYP1A2 P05177 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8714694 0.95 ALDH1A1 (0.37) MAPK1MEN1KMT2AGAACYP19A1
SCHEMBL8715839 0.93 PTGS1 (0.37) MAPK1MEN1KMT2AGAAALDH1A1
SCHEMBL8719165 0.89 MAPK1 (0.39) MAPK1MEN1KMT2AGAAALDH1A1
SCHEMBL23556876 0.79 SLC6A3 (0.41) MAPK1MEN1KMT2ATP53SLC6A3
SCHEMBL8715017 0.78 CHRM1 (0.32) SLC6A3SLC6A2CHRM1SLC6A4MGAM
SCHEMBL8720525 0.77 MAPK1 (0.40) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8714043 0.76 SLC6A3 (0.35) MAPK1MEN1KMT2ATP53SLC6A3
SCHEMBL8714046 0.76 SLC6A3 (0.35) MAPK1MEN1KMT2ATP53SLC6A3
SCHEMBL13715018 0.74 MAPK1 (0.58) MAPK1MEN1KMT2A
SCHEMBL5433093 0.74 MAPK1 (0.58) MAPK1MEN1KMT2A

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
EP-0708105-B1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO (JP) 1998-12-23 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708105-A1 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-04-24 EP disclosed