SCHEMBL9532593

SCHEMBL9532593

CN1C2CCC1CC(NC(=O)c1ccc3cccccc1-3)C2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTR3A P46098 6/20 0.54
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
CCR3 P51677 3/20 0.53
CYP2D6 P10635 1/20 0.53
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL9533289 0.81 HTR3A (0.55) MEN1KMT2AALDH1A1HTR3AHTR3E
Hydrochloric Acid SCHEMBL9533542 0.80 HTR3A (0.54) MEN1KMT2AALDH1A1HTR3AHTR3E
SCHEMBL1559634 0.79 MEN1 (0.74) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL3533984 0.77 GAA (0.68) GAAMEN1KMT2AALDH1A1HTR3A
SCHEMBL9747490 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HTR3AHTR3E
SCHEMBL2084615 0.75 HTR3A (0.55) MEN1KMT2AALDH1A1HTR3AHTR3E
SCHEMBL7435024 0.74 NPC1 (0.63) GAASMN1; SMN2HTR3AHTR3EHTR3B
SCHEMBL9531967 0.73 HTR3A (0.57) MEN1KMT2AALDH1A1HTR3AHTR3E
SCHEMBL7939878 0.73 HTR3A (0.86) HTR3ACYP3A4
SCHEMBL2459495 0.73 LMNA (0.52) KMT2AALDH1A1LMNAHTR3AHTR3E

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