SCHEMBL8916967

SCHEMBL8916967

O=C1CCCc2sc(CCN3CCN(c4csc5cc(F)ccc45)CC3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.50
DRD4 P21917 2/20 0.50
HTR1A P08908 11/20 0.49
DRD2 P14416 11/20 0.49
ADRA1A P35348 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL8920388 0.93 MAPT (0.47) HTR2ADRD4HTR1ADRD2MAPT
SCHEMBL8916916 0.90 HTR2A (0.42) HTR2ADRD4HTR1ADRD2MAPT
SCHEMBL8918049 0.84 DRD2 (0.42) HTR2ADRD4HTR1ADRD2ADRA1A
SCHEMBL8916905 0.84 MAPT (0.48) HTR2AHTR1ADRD2MAPT
SCHEMBL8919178 0.84 HTR1A (0.41) HTR2ADRD4HTR1ADRD2ADRA1A
SCHEMBL8919069 0.83 HTR1A (0.44) HTR2AHTR1ADRD2ADRA1A
SCHEMBL8918317 0.83 HTR1A (0.46) HTR2AHTR1ADRD2
SCHEMBL8916899 0.82 HTR1A (0.41) HTR2AHTR1ADRD2ADRA1A
SCHEMBL8917989 0.80 DRD2 (0.42) HTR2AHTR1ADRD2
SCHEMBL8916474 0.80 HTR1A (0.41) HTR2AHTR1ADRD2ADRA1A

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 2 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