SCHEMBL7308018

SCHEMBL7308018

CN1C2CCCC1CC(NC(=O)c1c(O)c3ccsc3[nH]c1=O)C2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.50
HTR3E A5X5Y0 5/20 0.50
HTR3B O95264 5/20 0.50
HTR3D Q70Z44 5/20 0.50
HTR3C Q8WXA8 5/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC22A2 O15244 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
KCNH2 Q12809 1/20 0.44
SLC47A1 Q96FL8 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
SCHEMBL7301719 0.97 HTR3E (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5107516 0.83 NPC1 (0.63) NPC1RAB9APOLBSMN1; SMN2RXFP1
SCHEMBL7300915 0.81 HTR3E (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7444121 0.81 NPC1 (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7305234 0.78 HTR3A (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7305238 0.78 HTR3A (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7435902 0.78 KMT2A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7302557 0.71 HTR3E (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7429752 0.69 HTR3A (0.96) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4154430 0.68 EGLN1 (0.47) NPC1RAB9ARXFP1MEN1KMT2A

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