SCHEMBL5553534

SCHEMBL5553534

CC(C)Oc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
CYP3A4 P08684 2/20 0.81
ADRA2A P08913 2/20 0.81
CYP2D6 P10635 2/20 0.81
ADRA2C P18825 2/20 0.81
CYP2C19 P33261 2/20 0.81
HTR2A P28223 1/20 0.81

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
Masupirdine SCHEMBL946320 0.90 HTR6 (1.00) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Masupirdine SCHEMBL29646265 0.90 HTR6 (1.00) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Masupirdine SCHEMBL29358531 0.90 HTR6 (1.00) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Masupirdine SCHEMBL31732770 0.89 HTR6 (0.98) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Masupirdine SCHEMBL20607627 0.89 HTR6 (0.98) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5553487 0.88 HTR6 (0.83) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL5553547 0.88 HTR6 (0.79) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Masupirdine SCHEMBL16798088 0.86 HTR6 (0.98) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Masupirdine SCHEMBL16767070 0.86 HTR6 (1.00) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
Masupirdine SCHEMBL29981252 0.86 HTR6 (1.00) HTR6CYP3A4ADRA2ACYP2D6ADRA2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100378109-C Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2008-04-02 CN disclosed
EP-1581538-B1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-02-28 EP disclosed
CN-1729197-A Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2006-02-01 CN disclosed