SCHEMBL8919178

SCHEMBL8919178

O=C1CCCc2sc(CCN3CCN(c4coc5cc(F)ccc45)CC3)cc2N1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.41
DRD2 P14416 14/20 0.41
HTR2A P28223 14/20 0.41
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
SLC6A4 P31645 3/20 0.36
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
DRD4 P21917 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
SCHEMBL8916899 0.93 HTR1A (0.41) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8918749 0.90 HTR1A (0.37) HTR1ADRD2HTR2AADRA1AADRA1B
SCHEMBL8915782 0.84 DRD2 (0.38) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8916967 0.84 HTR2A (0.50) HTR1ADRD2HTR2AADRA1ADRD4
SCHEMBL8920638 0.84 TSHR (0.38) HTR1ADRD2HTR2AADRA1BSLC6A4
SCHEMBL8917224 0.83 HTR1A (0.42) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8919037 0.83 HTR1A (0.44) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8920388 0.82 MAPT (0.47) HTR1ADRD2HTR2ADRD4
SCHEMBL8917721 0.80 HTR1A (0.40) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8917225 0.80 HTR1A (0.39) HTR1ADRD2HTR2AADRA1DADRA1A

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 claimed
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