SCHEMBL7440165

SCHEMBL7440165

CCCCn1c(=O)c(C(=O)OC2CC3CCC(C2)N3C)c(O)c2cccnc21

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 14/20 0.72
HTR3E A5X5Y0 9/20 0.72
HTR3B O95264 9/20 0.72
HTR3D Q70Z44 9/20 0.72
HTR3C Q8WXA8 9/20 0.72
CNR2 P34972 2/20 0.59
CNR1 P21554 1/20 0.59

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
SCHEMBL7435062 0.85 HTR3A (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7433210 0.81 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1522890 0.80 KDM4E (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7301955 0.80 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7301949 0.80 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7302698 0.76 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7302702 0.76 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7439911 0.76 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2088519 0.71 KDM4E (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7433224 0.71 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C

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