SCHEMBL6632017

SCHEMBL6632017

Cc1ccc2c(OCCN3CCC(=Cc4cc(CS(N)(=O)=O)ccc4C)CC3)cccc2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.53
HTR1B P28222 19/20 0.53
HTR1A P08908 17/20 0.53
ADRB2 P07550 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR1E P28566 1/20 0.51
HTR1F P30939 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 1/20 0.51
ADRA1B P35368 1/20 0.51
HTR2B P41595 1/20 0.51
HTR5A P47898 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
SCHEMBL6618199 0.93 HTR1D (0.57) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5206746 0.86 HTR1D (0.56) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5208626 0.84 HTR1D (0.63) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5207090 0.82 HTR1D (0.61) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6616886 0.82 HTR1A (0.64) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6617056 0.79 HTR1A (0.75) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5208958 0.79 HTR1D (0.57) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5210646 0.78 HTR1D (0.56) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5213579 0.77 HTR1D (0.58) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5214344 0.77 HTR1D (0.57) HTR1DHTR1BHTR1AADRB2DRD2

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-1480972-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068760-A2 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed