SCHEMBL7068535

SCHEMBL7068535

COc1ccc2c(c1)cc(C(=O)N1CCN(C)CC1)n2S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.54
CYP3A4 P08684 3/20 0.51
CYP2D6 P10635 3/20 0.51
HTR2A P28223 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
HRH4 Q9H3N8 2/20 0.44
SLC2A1 P11166 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 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
SCHEMBL6830116 0.92 KDM4E (0.51) HTR6HRH3KDM4ETSHRHRH4
SCHEMBL6925689 0.90 SLC2A1 (0.48) HTR6CYP3A4CYP2D6HTR2AHRH3
SCHEMBL6925801 0.90 KDM4E (0.48) HTR6CYP3A4CYP2D6HTR2AHRH3
SCHEMBL6826373 0.88 HRH3 (0.58) HTR6CYP3A4CYP2D6HRH3KDM4E
SCHEMBL6829317 0.88 HTR6 (0.49) HTR6HRH3KDM4ETSHRHRH4
SCHEMBL6831430 0.88 SLC2A1 (0.55) HTR6HRH3KDM4ETSHRHRH4
SCHEMBL6826453 0.86 PPARG (0.50) HTR6CYP3A4CYP2D6HRH3KDM4E
SCHEMBL6830280 0.85 IDO1 (0.47) HTR6HRH3KDM4ETSHRSLC2A1
SCHEMBL6924887 0.85 ALOX5 (0.52) HTR6CYP3A4CYP2D6TSHRSLC2A1
SCHEMBL6829377 0.84 HRH3 (0.53) HTR6CYP3A4CYP2D6HRH3TSHR

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