SCHEMBL4772681

SCHEMBL4772681

COc1ccc2c(c1)c(C=O)cn2S(=O)(=O)c1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ ADRA2A P08913 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ ADRA2C P18825 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ HTR2A P28223 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.44
▸ UBE2N P61088 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HTR7 P34969 1/20 0.44

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
SCHEMBL4769905 0.92 HTR6 (0.50) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL4774296 0.87 KDM4E (0.54) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL4776444 0.86 HTR6 (0.46) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL949730 0.84 HTR6 (0.58) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL4773184 0.84 HTR6 (0.44) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL950533 0.83 HTR6 (0.63) HTR6HTR2AKDM4EUBE2NDRD2
SCHEMBL950414 0.82 HTR6 (0.57) HTR6CYP3A4ADRA2ACYP2D6ADRA2C
SCHEMBL947498 0.81 KDM4E (0.60) HTR6KDM4EUBE2NALDH1A1
SCHEMBL4778240 0.81 HTR6 (0.59) HTR6CYP3A4CYP2D6HTR2AKDM4E
SCHEMBL4774289 0.81 HTR6 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 — — EP disclosed
EP-1581538-B1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-02-28 — — EP disclosed
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