SCHEMBL7236296

SCHEMBL7236296

CC[C@H](c1ccccc1)n1nn[nH]c1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
OPRM1 P35372 3/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
ITK Q08881 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 2/20 0.36
CYP17A1 P05093 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4C Q9H3R0 2/20 0.34
ATM Q13315 2/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 2/20 0.34
KDM5A P29375 1/20 0.33

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
SCHEMBL7231652 1.00 SIGMAR1 (0.37) SIGMAR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7240856 0.79 FAAH (0.44) OPRM1ALDH1A1BRD4
SCHEMBL7236267 0.79 FAAH (0.44) OPRM1ALDH1A1BRD4
SCHEMBL7778841 0.78 MEN1 (0.47) OPRM1OPRK1ALDH1A1SLC6A2SLC6A4
SCHEMBL7783951 0.68 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1CYP17A1
SCHEMBL7783590 0.67 DAO (0.40)
SCHEMBL5906281 0.67 ATM (0.40) ATM
SCHEMBL27858982 0.67 PTPN2 (0.52) ATM
SCHEMBL28286235 0.66 LMNA (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL18315430 0.66 HTT (0.50) OPRM1OPRD1OPRK1OPRL1ITK

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-6548450-B1 Herbicides NIHON BAYER AGROCHEM, K.K. (JP) 2003-04-15 US disclosed
EP-1183246-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2002-03-06 EP disclosed
WO-2000071527-A1 TETRAZOLINONE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-11-30 WO disclosed