SCHEMBL7689845

SCHEMBL7689845

COc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.49
F13A1 P00488 3/20 0.47
TGM2 P21980 3/20 0.47
TGM1 P22735 3/20 0.47
HTR1A P08908 3/20 0.47
HTR1D P28221 3/20 0.47
HTR1B P28222 3/20 0.47
HTR2A P28223 3/20 0.47
MAPT P10636 2/20 0.46
TGM3 Q08188 1/20 0.46
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
DRD2 P14416 1/20 0.45
HTR1E P28566 1/20 0.45
HTR1F P30939 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL6971247 0.83 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL7206261 0.81 HTR6 (0.60) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL20036032 0.80 ALDH1A1 (0.66) MAPTMEN1ALDH1A1ALOX15KMT2A
SCHEMBL27830586 0.78 HTR6 (0.42) HTR6F13A1TGM2TGM1HTR1A
SCHEMBL7200576 0.78 HTR6 (0.58) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL3920345 0.77 GRM5 (0.53) MAPTMEN1ALDH1A1KMT2ASTS
SCHEMBL1612319 0.77 HTR6 (0.54) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL12152314 0.76 PKLR (0.45) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL7200046 0.76 HTR6 (0.76) HTR6HTR1AHTR1DHTR1BHTR2A
SCHEMBL12632946 0.75 CYP2C9 (0.58) HTR6HTR1AHTR1DHTR1BHTR2A

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
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed