SCHEMBL8915782

SCHEMBL8915782

O=C1CCCc2sc(CCN3CCC(c4coc5cc(F)ccc45)CC3)cc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.38
SLC6A4 P31645 3/20 0.38
ACHE P22303 3/20 0.38
HTR2A P28223 5/20 0.37
HTR1A P08908 3/20 0.37
DRD3 P35462 3/20 0.37
HTR2C P28335 4/20 0.36
ADRA1D P25100 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
DRD4 P21917 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
SLC22A2 O15244 1/20 0.36
CACNA1F O60840 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 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
SCHEMBL8917179 0.90 DRD2 (0.40) DRD2SLC6A4HTR2AHTR1ADRD3
SCHEMBL8917070 0.89 DRD2 (0.51) DRD2SLC6A4HTR2ADRD3
SCHEMBL8918049 0.85 DRD2 (0.42) DRD2SLC6A4ACHEHTR2AHTR1A
SCHEMBL8916973 0.85 DRD2 (0.40) DRD2SLC6A4HTR2AHTR1ADRD3
SCHEMBL8919178 0.84 HTR1A (0.41) DRD2SLC6A4HTR2AHTR1AADRA1D
SCHEMBL8917040 0.84 ACHE (0.59) DRD2SLC6A4ACHEHTR2AHTR1A
SCHEMBL8917974 0.82 DRD2 (0.38) DRD2SLC6A4ACHEHTR2AHTR1A
SCHEMBL8917024 0.81 DRD2 (0.41) DRD2SLC6A4HTR2AHTR1ADRD3
SCHEMBL8918187 0.81 DRD2 (0.39) DRD2SLC6A4HTR2AHTR1ADRD3
SCHEMBL8916899 0.79 HTR1A (0.41) DRD2SLC6A4HTR2AHTR1AADRA1D

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