SCHEMBL4770631

SCHEMBL4770631

COc1ccc(S(=O)(=O)C(O)c2c[nH]c3ccc(Br)cc23)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
NR4A2 P43354 2/20 0.43
MAPT P10636 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GUSB P08236 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL4769973 0.94 HTR2B (0.52) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL4774934 0.89 MEN1 (0.45) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL946709 0.88 NR3C1 (0.47) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL949737 0.87 HTR2A (0.49) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL946625 0.86 HTR2A (0.45) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL4778974 0.86 CTSV (0.46) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL948641 0.84 HTR2A (0.51) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL946598 0.82 MGAM (0.46) HTR2ANR4A2GUSBGAASRC
SCHEMBL950480 0.79 HTR2A (0.55) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL947466 0.77 GUSB (0.46) HTR2AHTR2CHTR2BMTNR1AMTNR1B

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 1 patent. 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