SCHEMBL1376935

SCHEMBL1376935

CC(C)c1ccc(N(C)S(=O)(=O)c2ccc(N3CCCNCC3)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.49
HTR2A P28223 2/20 0.38
NCF1 P14598 2/20 0.38
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
MYLK Q15746 1/20 0.36
MAPT P10636 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL1383346 0.85 HTR6 (0.55) HTR6HTR2ANCF1CYP1A2CYP2D6
SCHEMBL1378745 0.84 HTR6 (0.56) HTR6HTR2ANCF1CYP1A2CYP2D6
SCHEMBL1379064 0.81 HTR6 (0.53) HTR6NCF1KMT2AHTR3EHTR3B
SCHEMBL3655977 0.81 HTR6 (0.53) HTR6HTR2ANCF1CYP1A2CYP2D6
SCHEMBL1378319 0.81 HTR6 (0.50) HTR6HTR2AMAPTHTR1AHTR1D
SCHEMBL1377014 0.80 HTR6 (0.51) HTR6
SCHEMBL1377836 0.79 HTR6 (0.50) HTR6HTR2ANCF1CYP1A2CYP2D6
SCHEMBL1380036 0.76 HTR6 (0.56) HTR6HTR2ANCF1CYP1A2CYP2D6
SCHEMBL1380282 0.76 HTR6 (0.56) HTR6HTR2ANCF1CYP1A2CYP2D6
SCHEMBL3621063 0.74 HTR6 (0.64) HTR6HTR2ANCF1MAPK1CYP1A2

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
JP-4731114-B2 2011-07-20 JP claimed