SCHEMBL4670235

SCHEMBL4670235

CCC(N)CCCOc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.53
TTK P33981 5/20 0.40
MAPK8 P45983 2/20 0.40
HTR2B P41595 2/20 0.36
AKR1B1 P15121 1/20 0.36
HTR2C P28335 1/20 0.35

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
SCHEMBL3535778 0.86 HTR6 (0.53) HTR6TTKMAPK8HTR2BAKR1B1
SCHEMBL3531858 0.85 HTR6 (0.52) HTR6TTKMAPK8HTR2BAKR1B1
SCHEMBL3531546 0.85 HTR6 (0.52) HTR6TTKMAPK8HTR2BAKR1B1
SCHEMBL8239424 0.84 HTR6 (0.53) HTR6TTKMAPK8AKR1B1
SCHEMBL3531523 0.84 HTR6 (0.52) HTR6TTKMAPK8
SCHEMBL3529039 0.84 HTR6 (0.58) HTR6TTKMAPK8
SCHEMBL3529991 0.84 HTR6 (0.53) HTR6TTKMAPK8AKR1B1
Cerlapirdine SCHEMBL3534330 0.84 HTR6 (0.71) HTR6HTR2C
Cerlapirdine SCHEMBL29375645 0.84 HTR6 (0.71) HTR6HTR2C
SCHEMBL3535047 0.83 HTR6 (0.51) HTR6TTKMAPK8

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-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed