SCHEMBL6829119

SCHEMBL6829119

CC(C)c1ccc2c(c1)cc(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC2A1 P11166 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.41
ATM Q13315 1/20 0.41
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
EIF4H Q15056 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
RORC P51449 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6831422 0.88 HTR6 (0.47) HTR6GAASMN1; SMN2SLC2A1LMNA
SCHEMBL6826410 0.87 SLC2A1 (0.55) HTR6GAASLC2A1LMNAPOLB
SCHEMBL6826779 0.85 HTR6 (0.44) HTR6GAASMN1; SMN2SLC2A1LMNA
SCHEMBL6925689 0.85 SLC2A1 (0.48) HTR6GAASLC2A1LMNAATM
SCHEMBL6829377 0.83 HRH3 (0.53) HTR6GAASLC2A1LMNAKMT2A
SCHEMBL6924887 0.78 ALOX5 (0.52) HTR6GAASLC2A1LMNAMAPT
SCHEMBL7068535 0.76 HTR6 (0.54) HTR6SLC2A1LMNATP53PABPC1
SCHEMBL6826453 0.75 PPARG (0.50) HTR6GAASMN1; SMN2SLC2A1LMNA
SCHEMBL6924163 0.75 SLC2A1 (0.43) HTR6GAASLC2A1LMNAKMT2A
SCHEMBL6925801 0.74 KDM4E (0.48) HTR6SMN1; SMN2SLC2A1LMNAPOLB

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-2004108671-A1 SUBSTITUTED INDOLES WITH SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-12-16 WO disclosed