SCHEMBL8663899

SCHEMBL8663899

CC(CO)(C(=O)OC1CC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.50
MLNR O43193 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
Atromepine SCHEMBL23494948 0.84 HTR3A (0.56) CHRM3CHRM2CHRM1HTR2CHRH1
Atromepine SCHEMBL247878 0.84 HTR3A (0.56) CHRM3CHRM2CHRM1HTR2CHRH1
Atromepine SCHEMBL247877 0.84 HTR3A (0.56) CHRM3CHRM2CHRM1HTR2CHRH1
Atromepine SCHEMBL23494947 0.84 HTR3A (0.56) CHRM3CHRM2CHRM1HTR2CHRH1
Atromepine SCHEMBL30869390 0.84 HTR3A (0.56) CHRM3CHRM2CHRM1HTR2CHRH1
SCHEMBL23494987 0.83 CHRM1 (0.47) CHRM3CHRM2CHRM1HTR2CHRH1
SCHEMBL23494986 0.83 CHRM1 (0.47) CHRM3CHRM2CHRM1HTR2CHRH1
Atromepine SCHEMBL22284034 0.83 HTR3A (0.55) CHRM3CHRM2CHRM1HTR2CHRH1
SCHEMBL23494989 0.83 CHRM1 (0.47) CHRM3CHRM2CHRM1HTR2CHRH1
SCHEMBL17880886 0.81 CHRM1 (0.46) CHRM3CHRM2CHRM1HTR2CHRH1

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
EP-0833821-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-04-08 EP disclosed
WO-1997000865-A1 1,3-OXAZIN-4-ONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-01-09 WO disclosed