SCHEMBL6651391

SCHEMBL6651391

Cc1ccc2c(OCCN3CCN(Cc4ccc5nccnc5c4)CC3)cccc2n1.Cc1ccc2c(OCCN3CCN(Cc4cccc5cc[nH]c45)CC3)cccc2n1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.81
HTR1B P28222 20/20 0.81
HTR1A P08908 18/20 0.81
ADRB2 P07550 1/20 0.61
DRD2 P14416 1/20 0.61
HTR2C P28335 1/20 0.61
HTR1F P30939 1/20 0.61
HTR7 P34969 1/20 0.61
ADRA1B P35368 1/20 0.61
DRD3 P35462 1/20 0.61
HTR2B P41595 1/20 0.61
HTR5A P47898 1/20 0.61

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
SCHEMBL5370249 0.90 HTR1D (1.00) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5367977 0.88 HTR1D (0.76) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6394471 0.82 HTR1D (1.00) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6391699 0.81 HTR1D (0.73) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5341152 0.81 HTR1D (0.79) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5350600 0.79 HTR1D (0.83) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL5346893 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6392574 0.76 HTR1D (1.00) HTR1DHTR1BHTR1A
SCHEMBL6400107 0.76 HTR1D (1.00) HTR1DHTR1BHTR1AADRB2DRD2
SCHEMBL6399387 0.75 HTR1D (0.80) 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 disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed