SCHEMBL9748207

SCHEMBL9748207

CCc1cc(C(=O)NC2CC3CCC(C2)N3C)n2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.53
HTR3E A5X5Y0 5/20 0.53
HTR3B O95264 5/20 0.53
HTR3D Q70Z44 5/20 0.53
HTR3C Q8WXA8 5/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR4 Q13639 1/20 0.49
SLC22A2 O15244 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL9748204 0.86 ALDH1A1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9747490 0.85 ALDH1A1 (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9747336 0.84 ALDH1A1 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9747774 0.83 ALDH1A1 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9748440 0.83 HTR3A (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9748168 0.83 ALDH1A1 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9533778 0.81 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9531232 0.80 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9747852 0.79 MEN1 (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9532171 0.78 HTR4 (0.59) 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-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP claimed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US claimed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP claimed
EP-0254584-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE BEECHAM GROUP PLC (GB) 1992-10-07 EP disclosed
US-4822795-A Pharmaceutically useful esters and amides BEECHAM GROPUP P.L.C. (GB) 1989-04-18 US disclosed
EP-0254584-A2 Azabicyclic compounds, process for their preparation, and their pharmaceutical use BEECHAM GROUP PLC (GB) 1988-01-27 EP disclosed