SCHEMBL7302557

SCHEMBL7302557

CCCCn1c(=O)c(C(=O)NC2CC3CCC(C2)N3C)c(O)c2ccsc21

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 7/20 0.70
HTR3B O95264 7/20 0.70
HTR3A P46098 7/20 0.70
HTR3D Q70Z44 7/20 0.70
HTR3C Q8WXA8 7/20 0.70
CNR2 P34972 3/20 0.49
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
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
SCHEMBL7303669 0.85 HTR3A (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7301955 0.83 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7301949 0.83 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7439804 0.83 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7438581 0.77 HTR3E (0.85) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5102884 0.77 KCNH2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5110168 0.76 HTR4 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5099945 0.75 HTR4 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8810033 0.75 HTT (0.64) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL7301719 0.74 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C

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