SCHEMBL8916620

SCHEMBL8916620

CC(=O)N1CCc2c(sc(C)c2CCN2CCC(c3nn(-c4ccc(F)cc4)c4cc(F)ccc34)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 5/20 0.36
DRD2 P14416 4/20 0.36
HTR7 P34969 4/20 0.36
KCNH2 Q12809 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36

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
SCHEMBL8917702 0.91 TP53 (0.39) GAAMAPTTP53THRBLMNA
SCHEMBL8916147 0.82 DRD2 (0.54) HTR2ADRD2HTR7KCNH2ADRA2A
SCHEMBL8917936 0.81 HTR2A (0.53) HTR2ADRD2HTR7KCNH2ADRA2A
SCHEMBL8915757 0.79 CTSS (0.51) GAAMAPTTP53THRBLMNA
SCHEMBL8916687 0.78 DRD2 (0.54) HTR2ADRD2KCNH2ADRA2AADRA2B
SCHEMBL8917929 0.76 DRD2 (0.54) HTR2ADRD2HTR7KCNH2ADRA2A
SCHEMBL8916465 0.76 HTR2A (0.53) HTR2ADRD2HTR7KCNH2ADRA2A
SCHEMBL8920271 0.76 DRD2 (0.56) HTR2ADRD2HTR7KCNH2ADRA2A
SCHEMBL8916567 0.75 DRD2 (0.55) HTR2ADRD2HTR7KCNH2ADRA2A
SCHEMBL8918134 0.75 DRD2 (0.53) HTR2ADRD2HTR7KCNH2ADRA2A

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