SCHEMBL6831989

SCHEMBL6831989

Cc1ncc2c(OCCN3CCC(Cc4ccc5c(c4F)N(C)C(=O)CO5)CC3)cccc2n1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.66
HTR1D P28221 19/20 0.66
HTR1B P28222 18/20 0.66
ADRB1 P08588 4/20 0.51
DRD2 P14416 4/20 0.51
HTR2A P28223 4/20 0.51
HTR7 P34969 4/20 0.51
DRD3 P35462 4/20 0.51
HTR2B P41595 3/20 0.51
SLC6A4 P31645 1/20 0.51
HTR2C P28335 3/20 0.50

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
SCHEMBL6829012 0.86 HTR1A (0.82) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5342149 0.83 HTR1A (0.59) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL6831990 0.79 HTR1A (0.49) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL14564986 0.77 HTR1A (0.82) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5345621 0.76 HTR1A (0.62) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL6834118 0.76 HTR1D (1.00) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5369281 0.76 HTR1A (0.53) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL14565038 0.74 HTR1A (1.00) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5342124 0.72 HTR1A (0.74) HTR1AHTR1DHTR1BADRB1DRD2
SCHEMBL5364338 0.72 HTR1A (0.54) HTR1AHTR1DHTR1BADRB1DRD2

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