SCHEMBL8917101

SCHEMBL8917101

CCc1c(CCN2CCC(c3noc4cc(F)ccc34)CC2)sc2c1CN(C(C)=O)CC2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.54
SLC6A4 P31645 1/20 0.54
HTR2A P28223 11/20 0.53
HTR7 P34969 10/20 0.53
KCNH2 Q12809 9/20 0.53
ACHE P22303 2/20 0.51
DRD3 P35462 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
SCHEMBL8918089 0.94 DRD2 (0.54) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8916743 0.94 HTR2A (0.51) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8917929 0.90 DRD2 (0.54) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8920271 0.89 DRD2 (0.56) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8920275 0.89 DRD2 (0.47) DRD2HTR2AHTR7KCNH2
SCHEMBL8918706 0.87 DRD2 (0.56) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8917336 0.87 HTR2A (0.44) HTR2AHTR7KCNH2DRD3
SCHEMBL8916632 0.86 DRD2 (0.54) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8917237 0.86 DRD2 (0.53) DRD2SLC6A4HTR2AHTR7KCNH2
SCHEMBL8918155 0.86 DRD2 (0.53) DRD2SLC6A4HTR2AHTR7KCNH2

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