SCHEMBL8917984

SCHEMBL8917984

CC(=O)N1CCCc2cc(CCN3CCC(c4noc5cc(F)ccc45)CC3)sc2C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.55
HTR7 P34969 4/20 0.55
KCNH2 Q12809 4/20 0.55
ACHE P22303 2/20 0.55
DRD2 P14416 7/20 0.54
SLC6A4 P31645 1/20 0.54
DRD3 P35462 1/20 0.53
HTR1A P08908 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA1D P25100 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR6 P50406 1/20 0.52
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL8991836 0.99 HTR2A (0.55) HTR2AHTR7KCNH2ACHEDRD2
SCHEMBL8917299 0.95 DRD2 (0.56) HTR2AHTR7KCNH2ACHEDRD2
SCHEMBL9408142 0.91 DRD2 (0.56) HTR2AHTR7KCNH2ACHEDRD2
Oxalic Acid SCHEMBL8917846 0.89 DRD2 (0.54) HTR2AKCNH2ACHEDRD2SLC6A4
Hydrochloric Acid SCHEMBL8991890 0.87 MCHR1 (0.56) HTR2AHTR7KCNH2DRD2DRD3
Hydrochloric Acid SCHEMBL8917151 0.83 MCHR1 (0.54) HTR2AHTR7KCNH2ACHEDRD2
SCHEMBL8916147 0.83 DRD2 (0.54) HTR2AHTR7KCNH2ACHEDRD2
SCHEMBL8918296 0.82 MCHR1 (0.62) HTR2AHTR7KCNH2DRD2DRD3
SCHEMBL8916632 0.82 DRD2 (0.54) HTR2AHTR7KCNH2ACHEDRD2
SCHEMBL8920271 0.82 DRD2 (0.56) HTR2AHTR7KCNH2ACHEDRD2

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 disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed