SCHEMBL9533289

SCHEMBL9533289

Cc1cc(C(=O)NC2CC3CCC(C2)N3C)c2cccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.55
HTR3E A5X5Y0 7/20 0.55
HTR3B O95264 7/20 0.55
HTR3D Q70Z44 7/20 0.55
HTR3C Q8WXA8 7/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Hydrochloric Acid SCHEMBL9533542 0.99 HTR3A (0.54) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9532593 0.81 GAA (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1559634 0.78 MEN1 (0.74) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7435024 0.78 NPC1 (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3533984 0.76 GAA (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9531363 0.76 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2084615 0.74 HTR3A (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7435030 0.74 HTR3A (0.72) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9531967 0.72 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7430530 0.72 HTR3A (0.77) 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 2 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