SCHEMBL7433210

SCHEMBL7433210

CN1C2CCC1CC(OC(=O)c1c(O)c3cccnc3n(-c3ccccc3)c1=O)C2

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.54
HTR3E A5X5Y0 5/20 0.54
HTR3B O95264 5/20 0.54
HTR3D Q70Z44 5/20 0.54
HTR3C Q8WXA8 5/20 0.54
CHRNA7 P36544 1/20 0.49

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
SCHEMBL7436991 0.83 HTR3A (0.74) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7440165 0.81 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7432150 0.77 RECQL (0.69)
SCHEMBL4187655 0.76 MEN1 (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8802904 0.76 FEN1 (0.54)
SCHEMBL8802662 0.73 FEN1 (0.54)
SCHEMBL9045112 0.73 FEN1 (0.51)
SCHEMBL7430312 0.72 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4192599 0.72 PDE4A (0.49)
SCHEMBL4187649 0.71 CNR2 (0.52)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458636-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed