SCHEMBL8558550

SCHEMBL8558550

Nc1nc(-c2ccc(F)cc2)c(C2CCN(CCCc3nsc4cc(F)ccc34)C2)s1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.59
DRD4 P21917 1/20 0.59
DRD2 P14416 3/20 0.37
HTR7 P34969 3/20 0.37
HTR6 P50406 3/20 0.37
PRCP P42785 2/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 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
SCHEMBL8553513 0.84 HTR2A (0.59) HTR2ADRD4DRD2HTR7HTR6
Hydrochloric Acid SCHEMBL8556568 0.83 HTR2A (0.58) HTR2ADRD4DRD2HTR7HTR6
SCHEMBL6907364 0.75 HTR2A (1.00) HTR2ADRD4DRD2
SCHEMBL7516300 0.75 HTR2A (1.00) HTR2ADRD4DRD2
Hydrochloric Acid SCHEMBL8552262 0.74 HTR2A (0.98) HTR2ADRD4DRD2
SCHEMBL8552184 0.72 DRD4 (0.61) HTR2ADRD4DRD2HTR6PRCP
Bromide SCHEMBL8553366 0.71 HTR2A (0.91) HTR2ADRD4DRD2
SCHEMBL8552863 0.69 HTR2A (0.87) HTR2ADRD4DRD2
SCHEMBL6898517 0.67 HTR2A (0.46) HTR2ADRD4DRD2HTR6PRCP
SCHEMBL8556407 0.65 DRD4 (0.59) HTR2ADRD4

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