SCHEMBL6826804

SCHEMBL6826804

CN1CCN(Cc2c(Cl)c3ccccc3n2S(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.61
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL6826574 0.78 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL6831378 0.76 HTR6 (0.56) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL6829699 0.76 HTR6 (0.60) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL946875 0.76 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
Hydrochloric Acid SCHEMBL946247 0.75 HTR6 (0.98) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL3216224 0.72 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL3205340 0.72 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL3429064 0.72 HTR6 (1.00) HTR6CYP3A4CYP2D6ADRA2AADRA2C
SCHEMBL14732435 0.71 FABP3 (0.58) HTR6
SCHEMBL27641207 0.70 HTR6 (0.64) HTR6CYP3A4CYP2D6

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