SCHEMBL9029352

SCHEMBL9029352

CN1C2CCC1CC(NC(=O)c1cn(C3CC3)c3ccccc3c1=O)C2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.63
HTR3E A5X5Y0 7/20 0.63
HTR3B O95264 7/20 0.63
HTR3D Q70Z44 7/20 0.63
HTR3C Q8WXA8 7/20 0.63
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC22A2 O15244 1/20 0.53
CHRNB2 P17787 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
KCNH2 Q12809 1/20 0.53
SLC47A1 Q96FL8 1/20 0.53

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
Mirisetron SCHEMBL194840 0.96 KDM4E (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
Mirisetron SCHEMBL194841 0.96 KDM4E (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
Mirisetron SCHEMBL6695569 0.96 KDM4E (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
Mirisetron SCHEMBL678308 0.90 KDM4E (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
Mirisetron SCHEMBL7362107 0.90 KDM4E (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
Mirisetron SCHEMBL121861 0.90 KDM4E (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
Mirisetron SCHEMBL121862 0.90 KDM4E (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027434 0.90 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9028063 0.86 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9028258 0.85 HTR3A (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494978-B1 HETEROCYCLIC COMPOUNDS WYETH JOHN & BROTHER LTD (GB) 1996-02-28 EP disclosed
US-5362734-A Certain benzo-quinolizine compounds and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 US disclosed
US-5225419-A Antagonist 5-hydroxytryptamine for treatment of nausea or vomiting JOHN WYETH & BROTHER, LIMITED (GB) 1993-07-06 US disclosed
EP-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP disclosed
US-5096901-A PHARMACOLOGICALLY ACTIVE AMIDES AND ESTERS CONTAINING AN AZABICYCLOALKANE MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1992-03-17 US disclosed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO disclosed