SCHEMBL8919945

SCHEMBL8919945

CC(=O)N1CCc2cc(CCN3CCC(c4noc5ccc(Cl)cc45)CC3)sc2C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
HTR2A P28223 11/20 0.47
DRD3 P35462 9/20 0.47
HTR7 P34969 2/20 0.44

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
SCHEMBL8917299 0.85 DRD2 (0.56) HTR2ADRD3HTR7
SCHEMBL8917336 0.82 HTR2A (0.44) MCHR1HTR2ADRD3HTR7
SCHEMBL8917984 0.81 HTR2A (0.55) HTR2ADRD3HTR7
Hydrochloric Acid SCHEMBL8991836 0.80 HTR2A (0.55) HTR2ADRD3HTR7
Oxalic Acid SCHEMBL8917846 0.79 DRD2 (0.54) HTR2ADRD3
SCHEMBL9408142 0.79 DRD2 (0.56) HTR2ADRD3HTR7
SCHEMBL8917936 0.76 HTR2A (0.53) HTR2ADRD3HTR7
Hydrochloric Acid SCHEMBL8917151 0.73 MCHR1 (0.54) MCHR1HTR2ADRD3HTR7
SCHEMBL8917651 0.73 HTR2A (0.40) HTR2ADRD3HTR7
SCHEMBL8918296 0.73 MCHR1 (0.62) MCHR1HTR2ADRD3HTR7

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