SCHEMBL9531411

SCHEMBL9531411

CCc1cc(C(=O)NC2CC3CCC2CN3C)c2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
TP53 P04637 1/20 0.38
HTR4 Q13639 3/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9533778 0.82 HTR3A (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9531570 0.81 CHRNA7 (0.52)
SCHEMBL1761845 0.76 ADRA2A (0.45) TP53
Hydrochloric Acid SCHEMBL9684279 0.76 ADRA2A (0.44) HTR3ATP53
Hydrochloric Acid SCHEMBL9684524 0.76 ADRA2A (0.44) HTR3ATP53
SCHEMBL7494659 0.70 ALDH1A1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7325697 0.70 TP53 (0.41) TP53
SCHEMBL4705312 0.69 FNTA (0.55) TP53
SCHEMBL9531363 0.68 HTR3A (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9532205 0.67 HTR3A (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289170-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-06-23 EP claimed
EP-0289170-A2 Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-11-02 EP claimed
EP-0289170-B1 AZABICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-06-23 EP disclosed
US-4882327-A NERVOUS SYSTEM DISORDERS BEECHAM GROUP P.L.C. (GB) 1989-11-21 US disclosed
EP-0289170-A2 Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-11-02 EP disclosed