SCHEMBL8916981

SCHEMBL8916981

Cc1sc2c(c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCN(C(=O)C1CCCCC1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.53
DRD2 P14416 10/20 0.53
KCNH2 Q12809 6/20 0.53
HTR7 P34969 5/20 0.53
HTR2C P28335 4/20 0.53
ACHE P22303 3/20 0.53
ADRA1A P35348 3/20 0.53
HRH1 P35367 3/20 0.53
DRD3 P35462 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD5 P21918 2/20 0.53
HTR1D P28221 2/20 0.53
HTR1B P28222 2/20 0.53
SCN5A Q14524 2/20 0.53
SLC6A4 P31645 2/20 0.53
HTR1A P08908 2/20 0.53

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
SCHEMBL8918134 0.96 DRD2 (0.53) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8916147 0.90 DRD2 (0.54) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8916567 0.89 DRD2 (0.55) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8916465 0.88 HTR2A (0.53) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8918054 0.88 DRD2 (0.54) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8916687 0.86 DRD2 (0.54) HTR2ADRD2KCNH2HTR2CACHE
SCHEMBL8917936 0.84 HTR2A (0.53) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8917929 0.84 DRD2 (0.54) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8920271 0.84 DRD2 (0.56) HTR2ADRD2KCNH2HTR7HTR2C
SCHEMBL8918706 0.82 DRD2 (0.56) HTR2ADRD2KCNH2HTR7HTR2C

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