SCHEMBL7305866

SCHEMBL7305866

CN1C2CCC1CC(OC(=O)c1c(O)c3sccc3[nH]c1=O)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.48
HTR3B O95264 5/20 0.48
HTR3A P46098 5/20 0.48
HTR3D Q70Z44 5/20 0.48
HTR3C Q8WXA8 5/20 0.48
CHRNA7 P36544 2/20 0.48
CYP2D6 P10635 5/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
MTOR P42345 2/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7305858 1.00 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7305238 0.85 HTR3A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7305234 0.85 HTR3A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7300915 0.81 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7430312 0.81 HTR3A (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7302698 0.76 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7302702 0.76 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7300934 0.75 HTR3A (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7286239 0.72 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4158228 0.72 KDM5A (0.56) LMNA

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-0503844-B1 Thienopyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1994-08-03 EP disclosed
US-5155115-A THIENOPYRIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-10-13 US disclosed
EP-0503844-A1 Thienopyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-09-16 EP disclosed