SCHEMBL8917987

SCHEMBL8917987

CCc1c(CCN2CCC(c3noc4cc(F)c(F)cc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.49
DRD3 P35462 11/20 0.49
HTR7 P34969 6/20 0.43
KCNH2 Q12809 4/20 0.43
DRD2 P14416 4/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL8917651 0.92 HTR2A (0.40) HTR2ADRD3HTR7KCNH2DRD2
SCHEMBL8918089 0.91 DRD2 (0.54) HTR2ADRD3HTR7KCNH2DRD2
SCHEMBL8918426 0.89 HTR2A (0.44) HTR2ADRD3HTR7KCNH2DRD2
SCHEMBL8917038 0.89 HTR2A (0.50) HTR2ADRD3HTR7KCNH2DRD2
SCHEMBL8917017 0.87 HTR2A (0.46) HTR2ADRD3KCNH2DRD2HTR1A
SCHEMBL8915767 0.86 HTR2A (0.38) HTR2ADRD3HTR7KCNH2DRD2
SCHEMBL8920271 0.86 DRD2 (0.56) HTR2ADRD3HTR7KCNH2DRD2
Oxalic Acid SCHEMBL8916497 0.85 DRD2 (0.45) HTR2AHTR7KCNH2DRD2HTR1A
SCHEMBL8917101 0.85 DRD2 (0.54) HTR2ADRD3HTR7KCNH2DRD2
SCHEMBL8916743 0.85 HTR2A (0.51) HTR2ADRD3HTR7KCNH2DRD2

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