SCHEMBL8718634

SCHEMBL8718634

O=C(O)c1nn(C2CCCCC2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
OPRM1 P35372 10/20 0.45
OPRK1 P41145 10/20 0.45
OGFRL1 Q5TC84 10/20 0.45
OPRD1 P41143 8/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
OPRL1 P41146 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
HCAR3 P49019 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
SLC22A2 O15244 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR3D Q70Z44 1/20 0.43

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
SCHEMBL3411552 0.98 KDM4E (0.47) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL2078485 0.95 HTR3A (0.46) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL31429395 0.92 CYP3A4 (0.44) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL8718851 0.87 HTR3A (0.44) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL5316749 0.86 SSTR4 (0.49)
SCHEMBL8876610 0.85 ELANE (0.51) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL8713323 0.85 HTR3A (0.45) KDM4EMEN1KMT2ACNR1CNR2
SCHEMBL719399 0.83 ELANE (0.53) KDM4EMEN1KMT2ACNR1HTR3E
SCHEMBL8717365 0.82 HTR3A (0.48) KDM4EOPRM1OPRK1OGFRL1OPRD1
SCHEMBL21725181 0.82 ELANE (0.54) KDM4ECNR1HTR3ESLC22A2HTR3B

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