SCHEMBL7303669

SCHEMBL7303669

CCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2sccc21

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.70
HTR3E A5X5Y0 5/20 0.70
HTR3B O95264 5/20 0.70
HTR3D Q70Z44 5/20 0.70
HTR3C Q8WXA8 5/20 0.70
KCNH2 Q12809 1/20 0.52
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
EGLN1 Q9GZT9 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HTR4 Q13639 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7302557 0.85 HTR3E (0.70) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7302698 0.83 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7302702 0.83 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7439804 0.83 HTR3E (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7438581 0.79 HTR3E (0.85) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7300915 0.75 HTR3E (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8809153 0.75 HTT (0.64) KCNH2MEN1KMT2AKDM4EHPGD
SCHEMBL7435237 0.74 HTR3A (0.78) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7309093 0.73 KDM4E (0.65) KCNH2EGLN1MEN1KMT2AKDM4E
SCHEMBL8809110 0.72 MEN1 (0.55) KCNH2MEN1KMT2AKDM4EHPGD

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