SCHEMBL5240225

SCHEMBL5240225

Cc1ccc2c(OCCC(c3ccc(F)c(NS(C)(=O)=O)c3)C3CCNCC3)cccc2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.47
HTR1D P28221 17/20 0.47
HTR1B P28222 17/20 0.47
SLC6A4 P31645 4/20 0.45
ADRB2 P07550 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR1E P28566 1/20 0.45
HTR1F P30939 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
HTR5A P47898 1/20 0.45
SLC6A2 P23975 3/20 0.37
SLC6A3 Q01959 3/20 0.37

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
SCHEMBL5214741 0.73 HTR1D (0.60) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5210689 0.73 HTR1A (0.83) HTR1AHTR1DHTR1BSLC6A4ADRB2
SCHEMBL6834120 0.70 HTR1D (0.62) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5251503 0.68 HTR1D (0.59) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5213797 0.68 HTR1A (0.79) HTR1AHTR1DHTR1BSLC6A4ADRB2
SCHEMBL5211540 0.67 HTR1A (0.78) HTR1AHTR1DHTR1BSLC6A4ADRB2
SCHEMBL6826132 0.67 HTR1A (0.59) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5213749 0.67 HTR1D (0.49) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL5205795 0.66 HTR1A (0.81) HTR1AHTR1DHTR1BSLC6A4ADRB2
SCHEMBL5220146 0.65 HTR1D (0.50) HTR1AHTR1DHTR1BSLC6A4DRD2

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 claimed