SCHEMBL8918416

SCHEMBL8918416

O=C1Cc2cc(S(=O)(=O)CCCN3CCC(c4noc5cc(F)ccc45)CC3)sc2CN1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.53
DRD2 P14416 11/20 0.53
HTR7 P34969 9/20 0.53
HTR6 P50406 8/20 0.53
ACHE P22303 2/20 0.52
KCNH2 Q12809 2/20 0.52
HTR1A P08908 1/20 0.52
ADRA2C P18825 1/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A4 P31645 1/20 0.51

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
SCHEMBL8917771 0.85 DRD2 (0.58) HTR2ADRD2HTR6ACHEKCNH2
SCHEMBL8917294 0.85 ACHE (0.52) HTR2ADRD2HTR6ACHEKCNH2
SCHEMBL8916514 0.84 ACHE (0.51) HTR2ADRD2HTR6ACHEKCNH2
SCHEMBL8917228 0.83 ACHE (0.53) HTR2ADRD2HTR7HTR6ACHE
SCHEMBL8918516 0.83 DRD2 (0.58) HTR2ADRD2HTR7HTR6ACHE
SCHEMBL8917083 0.80 ACHE (0.50) HTR2ADRD2HTR7HTR6ACHE
SCHEMBL8917276 0.79 HTR2C (0.58) HTR2ADRD2HTR6ACHEKCNH2
SCHEMBL8918221 0.74 ACHE (0.50) HTR2ADRD2HTR6ACHEKCNH2
SCHEMBL1545611 0.73 ACHE (0.93) HTR2ADRD2HTR7HTR6ACHE
SCHEMBL7356978 0.72 ACHE (0.71) HTR2ADRD2HTR7HTR6ACHE

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
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed