SCHEMBL5211797

SCHEMBL5211797

Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)c5ccncc5)c4)CC3)cccc2n1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.80
HTR1D P28221 20/20 0.80
HTR1B P28222 20/20 0.80
ADRB2 P07550 1/20 0.70
DRD2 P14416 1/20 0.70
HTR2A P28223 1/20 0.70
HTR1E P28566 1/20 0.70
HTR1F P30939 1/20 0.70
SLC6A4 P31645 1/20 0.70
HTR7 P34969 1/20 0.70
ADRA1B P35368 1/20 0.70
HTR2B P41595 1/20 0.70
HTR5A P47898 1/20 0.70

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
SCHEMBL5205728 0.92 HTR1A (0.77) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5210277 0.91 HTR1A (0.90) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL6395397 0.90 HTR1A (0.78) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5210944 0.89 HTR1A (1.00) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5211241 0.88 HTR1A (0.78) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5209353 0.88 HTR1A (0.78) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5213155 0.88 HTR1A (0.80) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5214315 0.88 HTR1A (1.00) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5209392 0.88 HTR1A (1.00) HTR1AHTR1DHTR1BADRB2DRD2
SCHEMBL5207763 0.87 HTR1A (0.87) HTR1AHTR1DHTR1BADRB2DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480972-B1 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-04-11 EP disclosed