SCHEMBL6829140

SCHEMBL6829140

CCOc1ccc2c(c1)cc(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
TSHR P16473 2/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 4/20 0.48
SLC2A1 P11166 1/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL6826421 0.90 SLC2A1 (0.55) HRH3TSHRNOD2NOD1KDM4E
SCHEMBL6826373 0.89 HRH3 (0.58) HRH3TSHRNOD2NOD1KDM4E
SCHEMBL6925801 0.89 KDM4E (0.48) HRH3TSHRKDM4ELMNASLC2A1
SCHEMBL6921864 0.84 HRH3 (0.51) HRH3NOD2NOD1LMNASLC2A1
SCHEMBL6830116 0.83 KDM4E (0.51) HRH3TSHRKDM4ELMNASLC2A1
SCHEMBL6829301 0.82 NOD2 (0.60) HRH3NOD2NOD1LMNASLC2A1
SCHEMBL6829377 0.82 HRH3 (0.53) HRH3TSHRNOD2NOD1LMNA
SCHEMBL6829439 0.81 HRH3 (0.49) HRH3NOD2NOD1LMNASLC2A1
SCHEMBL6829317 0.80 HTR6 (0.49) HRH3TSHRKDM4ELMNASLC2A1
SCHEMBL6831430 0.79 SLC2A1 (0.55) HRH3TSHRKDM4ESLC2A1SMN1; SMN2

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