SCHEMBL8916604

SCHEMBL8916604

O=C1CCc2cc(C(=O)CCCN3CCC(c4noc5cc(F)ccc45)CC3)sc2N1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.64
KCNH2 Q12809 3/20 0.64
DRD2 P14416 3/20 0.64
HTR1A P08908 2/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
HRH1 P35367 2/20 0.64
DRD3 P35462 2/20 0.64
ADRA1A P35348 1/20 0.64
DRD1 P21728 1/20 0.61
ACHE P22303 1/20 0.52
SLC6A4 P31645 1/20 0.51

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
SCHEMBL8917216 0.85 DRD2 (0.57) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL8917771 0.85 DRD2 (0.58) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL8917276 0.85 HTR2C (0.58) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL9408136 0.84 HTR2A (0.47) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL8916867 0.84 DRD2 (0.61) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL8991832 0.83 DRD2 (0.58) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL8917663 0.80 MCHR1 (0.62) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL8918296 0.80 MCHR1 (0.62) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL8917156 0.80 DRD2 (0.58) HTR6KCNH2DRD2HTR1AHTR2A
SCHEMBL9413462 0.80 HTR2A (0.64) HTR6KCNH2DRD2HTR1AHTR2A

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