SCHEMBL6832017

SCHEMBL6832017

Cc1ccc2c(OCCC(c3ccc4c(c3F)NC(=O)CO4)C3CCNCC3)cc(F)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.62
HTR1A P08908 19/20 0.62
HTR1B P28222 18/20 0.62
HTR7 P34969 7/20 0.62
DRD3 P35462 7/20 0.62
ADRB1 P08588 6/20 0.62
DRD2 P14416 6/20 0.62
HTR2A P28223 5/20 0.62
HTR2C P28335 4/20 0.62
HTR2B P41595 4/20 0.55
HTR6 P50406 1/20 0.44
SLC6A4 P31645 3/20 0.40

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
SCHEMBL6833677 0.96 HTR1A (0.61) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL6828923 0.94 HTR1A (0.64) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL6834120 0.91 HTR1D (0.62) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL4429001 0.87 HTR1D (0.61) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL6829014 0.82 HTR1A (0.51) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL6826132 0.81 HTR1A (0.59) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL5213749 0.78 HTR1D (0.49) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL6832015 0.77 HTR1A (1.00) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL5220146 0.76 HTR1D (0.50) HTR1DHTR1AHTR1BHTR7DRD3
SCHEMBL6833678 0.73 HTR1A (0.96) HTR1DHTR1AHTR1BHTR7DRD3

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
WO-2004099198-A1 BENZOXAZINONE DERIVATIVES HAVING AFFINITY FOR 5- HT RECEPTORS, THEIR PREPARATION AND USE GLAXO GROUP LIMITED (GB) 2004-11-18 WO disclosed