SCHEMBL4086449

SCHEMBL4086449

O=S(=O)(c1ccc2nc(N3CCNCC3)sc2c1)c1cccc2ccccc12.O=S(=O)(c1cccc2ccccc12)c1cccc2sc(N3CCNCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.56
HTR2B P41595 4/20 0.48
HTR1A P08908 2/20 0.48
HTR7 P34969 1/20 0.48
SCN4A P35499 2/20 0.46
SCN9A Q15858 2/20 0.46
DRD2 P14416 3/20 0.42
HTR2C P28335 3/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL3913015 0.93 HTR6 (0.63) HTR6HTR2BHTR1AHTR7SCN4A
Hydrochloric Acid SCHEMBL4083731 0.93 HTR6 (0.62) HTR6HTR2BHTR1AHTR7SCN4A
SCHEMBL3909209 0.89 HTR6 (0.60) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL3909249 0.77 HTR6 (0.61) HTR6HTR2BHTR1AHTR7DRD2
SCHEMBL4573351 0.73 SCN4A (0.55) HTR6SCN4ASCN9A
SCHEMBL1775825 0.72 HTR6 (0.63) HTR6HTR2BHTR1AHTR7HTR1D
SCHEMBL3916125 0.72 HTR6 (1.00) HTR6HTR2BHTR1AHTR7
Hydrochloric Acid SCHEMBL4075501 0.71 HTR6 (0.98) HTR6HTR2BHTR1AHTR7
Hydrochloric Acid SCHEMBL1773868 0.71 HTR6 (0.62) HTR6HTR2BHTR1AHTR7HTR1D
SCHEMBL3918109 0.70 HTR6 (1.00) HTR6HTR2BHTR1AHTR7DRD2

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-2024348-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS Wyeth (US) 2009-02-18 EP claimed
WO-2007142904-A2 BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS WYETH (US) 2007-12-13 WO claimed