SCHEMBL6829317

SCHEMBL6829317

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
IDO1 P14902 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
GPR183 P32249 1/20 0.46
HRH4 Q9H3N8 2/20 0.46
SLC2A1 P11166 1/20 0.45

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 0.94 KDM4E (0.51) HTR6KDM4ELMNATSHRHRH3
SCHEMBL6826373 0.90 HRH3 (0.58) HTR6KDM4ETSHRHRH3IDO1
SCHEMBL6831430 0.90 SLC2A1 (0.55) HTR6KDM4ETSHRHRH3HDAC3
SCHEMBL7068535 0.88 HTR6 (0.54) HTR6KDM4ELMNATSHRHRH3
SCHEMBL6826453 0.87 PPARG (0.50) HTR6KDM4ELMNATSHRHRH3
SCHEMBL6830280 0.87 IDO1 (0.47) HTR6KDM4ELMNATSHRHRH3
SCHEMBL6826439 0.87 LMNA (0.50) LMNAHRH3HRH4SLC2A1ACLY
SCHEMBL6826756 0.85 DRD2 (0.54) HTR6KDM4ELMNATSHRSLC2A1
SCHEMBL6826389 0.84 LMNA (0.47) HTR6LMNAHRH3HRH4SLC2A1
SCHEMBL6829140 0.80 HRH3 (0.55) KDM4ELMNATSHRHRH3SLC2A1

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