SCHEMBL9028063

SCHEMBL9028063

CCn1cc(C(=O)NC2CC3CCC(C2)N3C)c(=O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 12/20 0.61
HTR3E A5X5Y0 5/20 0.61
HTR3B O95264 5/20 0.61
HTR3D Q70Z44 5/20 0.61
HTR3C Q8WXA8 5/20 0.61
CNR1 P21554 3/20 0.56
CNR2 P34972 3/20 0.56
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 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
SCHEMBL9027809 0.96 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027144 0.93 HTR3A (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027450 0.91 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16692891 0.90 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL22416267 0.90 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027739 0.90 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9028508 0.89 CNR2 (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9027784 0.89 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16378030 0.88 CNR1 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL22416052 0.88 CNR1 (0.57) 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 7 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 claimed
EP-0494978-A1 HETEROCYCLIC COMPOUNDS. WYETH JOHN & BROTHER LTD (GB) 1992-07-22 EP claimed
US-5096901-A PHARMACOLOGICALLY ACTIVE AMIDES AND ESTERS CONTAINING AN AZABICYCLOALKANE MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1992-03-17 US claimed
WO-1991005783-A1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-05-02 WO claimed
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