SCHEMBL6651423

SCHEMBL6651423

Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(C#N)cc2n1.Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NC(=O)CO5)CC3)cc(I)cc2n1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.92
HTR1D P28221 19/20 0.92
HTR1B P28222 17/20 0.92
HTR7 P34969 7/20 0.72
DRD3 P35462 7/20 0.72
ADRB1 P08588 6/20 0.72
DRD2 P14416 6/20 0.72
HTR2A P28223 5/20 0.72
HTR2B P41595 4/20 0.72
SLC6A4 P31645 1/20 0.72
HTR2C P28335 4/20 0.62
HTR6 P50406 1/20 0.60

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
SCHEMBL5216805 0.96 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5213744 0.94 HTR1A (0.85) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL6651421 0.91 HTR1A (0.76) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL14565044 0.86 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL14564979 0.85 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL29388787 0.84 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5364247 0.84 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL29462269 0.81 HTR1D (0.93) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5220139 0.79 HTR1A (0.85) HTR1AHTR1DHTR1BHTR7DRD3
SCHEMBL5251500 0.79 HTR1A (1.00) HTR1AHTR1DHTR1BHTR7DRD3

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