SCHEMBL6829439

SCHEMBL6829439

CN1CCN(C(=O)c2cc3cc(C=S)ccc3n2S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
SLC2A1 P11166 1/20 0.45
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
GPR183 P32249 2/20 0.40
HTR6 P50406 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ACLY P53396 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL6826496 0.90 SLC2A1 (0.54) HRH3SLC2A1HTR6LMNAGAA
SCHEMBL6924163 0.89 SLC2A1 (0.43) HRH3SLC2A1GPR183HTR6LMNA
SCHEMBL6921864 0.86 HRH3 (0.51) HRH3SLC2A1NOD2NOD1GPR183
SCHEMBL6829301 0.83 NOD2 (0.60) HRH3SLC2A1NOD2NOD1HTR6
SCHEMBL6826779 0.83 HTR6 (0.44) SLC2A1HTR6LMNAGAA
SCHEMBL6829377 0.83 HRH3 (0.53) HRH3SLC2A1NOD2NOD1GPR183
SCHEMBL6826373 0.83 HRH3 (0.58) HRH3SLC2A1NOD2NOD1GPR183
SCHEMBL6829140 0.81 HRH3 (0.55) HRH3SLC2A1NOD2NOD1LMNA
SCHEMBL6925689 0.76 SLC2A1 (0.48) HRH3SLC2A1HTR6LMNAGAA
SCHEMBL6830116 0.76 KDM4E (0.51) HRH3SLC2A1HTR6LMNAPKM

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-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 claimed
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