SCHEMBL8552863

SCHEMBL8552863

COc1ccc(C(=O)CCCN2CCC(c3sc(N)nc3-c3ccc(F)cc3)C2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.87
DRD4 P21917 1/20 0.87
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD1 P21728 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
DRD2 P14416 4/20 0.47
HTR2C P28335 2/20 0.47
CYP2J2 P51589 1/20 0.45
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6907364 0.93 HTR2A (1.00) HTR2ADRD4KMT2AMEN1CHRM2
SCHEMBL7516300 0.93 HTR2A (1.00) HTR2ADRD4KMT2AMEN1CHRM2
Hydrochloric Acid SCHEMBL8552262 0.92 HTR2A (0.98) HTR2ADRD4KMT2AMEN1CHRM2
Bromide SCHEMBL8553366 0.89 HTR2A (0.91) HTR2ADRD4KMT2AMEN1CHRM2
SCHEMBL3726273 0.84 HTR2A (0.79) HTR2ADRD4KMT2AMEN1CHRM2
SCHEMBL13041313 0.82 DRD4 (0.75) HTR2ADRD4KMT2AMEN1CHRM2
SCHEMBL6350366 0.74 KMT2A (0.62) KMT2AMEN1CHRM2HTR1AADRA2A
SCHEMBL8556407 0.73 DRD4 (0.59) HTR2ADRD4KMT2AMEN1ALDH1A1
SCHEMBL8552184 0.70 DRD4 (0.61) HTR2ADRD4KMT2AMEN1DRD3
SCHEMBL8558550 0.69 HTR2A (0.59) HTR2ADRD4DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816362-A1 THIAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-01-07 EP disclosed