SCHEMBL6615037

SCHEMBL6615037

Cc1ccc2c(OCCN3CCC(Oc4ccc5c(c4)[N+]([O-])=CCC5)CC3)cccc2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 19/20 0.50
HTR1B P28222 19/20 0.50
HTR1A P08908 18/20 0.50
ADRB2 P07550 2/20 0.48
DRD2 P14416 2/20 0.48
HTR1F P30939 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1B P35368 2/20 0.48
HTR5A P47898 2/20 0.48
HTR2A P28223 1/20 0.48
HTR1E P28566 1/20 0.48
HTR2B P41595 1/20 0.48
HTR6 P50406 1/20 0.46
HTR4 Q13639 1/20 0.46

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
SCHEMBL5205998 0.80 HTR1D (0.59) HTR1DHTR1BHTR1A
SCHEMBL5367624 0.79 DRD2 (0.62) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5206483 0.78 HTR1D (0.60) HTR1DHTR1BHTR1A
SCHEMBL5207534 0.77 HTR1A (0.58) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5211773 0.77 HTR1D (0.75) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5207182 0.76 HTR1D (0.71) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5213858 0.73 HTR1D (0.62) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6619781 0.73 HTR1D (0.57) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5205832 0.72 HTR1D (0.69) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6395075 0.70 HTR1A (0.67) 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-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP claimed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed