SCHEMBL6829943

SCHEMBL6829943

CN1CCN(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.46
HRH4 Q9H3N8 3/20 0.46
ACLY P53396 1/20 0.44
ALOX5 P09917 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
AVPR1B P47901 1/20 0.43
SLC2A1 P11166 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6829313 0.88 DRD2 (0.48) HTR6HRH4ACLYALOX5HPGD
SCHEMBL6829294 0.87 HTR6 (0.50) HTR6HRH4ACLYSLC2A1CYP3A4
SCHEMBL6829881 0.84 SLC2A1 (0.56) HTR6HRH4ALOX5HPGDTSHR
SCHEMBL6829301 0.80 NOD2 (0.60) HTR6ALOX5SLC2A1CYP3A4CYP2D6
SCHEMBL6924887 0.78 ALOX5 (0.52) HTR6ALOX5HPGDTSHRSLC2A1
SCHEMBL6826756 0.78 DRD2 (0.54) HTR6ALOX5HPGDTSHRSLC2A1
SCHEMBL6826574 0.77 HTR6 (0.53) HTR6HRH4AVPR1BCYP3A4CYP2D6
SCHEMBL6829699 0.76 HTR6 (0.60) HTR6CYP3A4CYP2D6CYP2C19
SCHEMBL5029975 0.75 CCR2 (0.44) ACLYALOX5TSHRALDH1A1
SCHEMBL6141961 0.75 DRD2 (0.60) HRH4HPGDTSHRALDH1A1

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