SCHEMBL4687102

SCHEMBL4687102

CCC(c1cc(S(=O)(=O)O)ccc1C)c1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.47
HTR2A P28223 15/20 0.47
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
PTGER3 P43115 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL4687103 0.77 SLC6A2 (0.60) SLC6A2HTR2AHTR2CHTR6PTGER3
SCHEMBL8586535 0.73 HTT (0.39)
SCHEMBL28564255 0.73 LMNA (0.42)
SCHEMBL4740842 0.69 SLC6A2 (0.60) SLC6A2HTR2AHTR2CHTR6PTGER3
SCHEMBL4685487 0.69 ALDH1A1 (0.34) MEN1KMT2AGPR84
SCHEMBL4740844 0.69 SLC6A2 (0.60) SLC6A2HTR2AHTR2CHTR6PTGER3
SCHEMBL7525829 0.68 HTT (0.33)
SCHEMBL4687105 0.68 SLC6A2 (0.64) SLC6A2HTR2AHTR2CHTR6PTGER3
SCHEMBL4687106 0.67 SLC6A2 (0.63) SLC6A2HTR2AHTR2CHTR6PTGER3
SCHEMBL28246140 0.67 MEN1 (0.52) SLC6A2HTR2AHTR2CHTR6MEN1

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-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP disclosed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 WO disclosed