SCHEMBL5616163

SCHEMBL5616163

CCCCCN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)c1c2ccc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
SIGMAR1 Q99720 5/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
SLC18A3 Q16572 1/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR1 P21453 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL5578447 0.85 HPGD (0.36) DRD2SIGMAR1HRH2HRH1
SCHEMBL5616199 0.82 SIGMAR1 (0.43) DRD2SIGMAR1SLC18A3DRD3
SCHEMBL5822828 0.79 DRD2 (0.38) DRD2SIGMAR1HRH2HRH1SLC18A3
SCHEMBL4890976 0.76 DRD2 (0.39) DRD2SIGMAR1HRH2HRH1SLC18A3
SCHEMBL5578898 0.75 SIGMAR1 (0.36) SIGMAR1
SCHEMBL5578564 0.73 DRD2 (0.47) DRD2SIGMAR1SLC18A3
SCHEMBL5820469 0.73 DRD2 (0.47) DRD2SIGMAR1SLC18A3DRD3
SCHEMBL5579040 0.72 HPGD (0.38) DRD2SIGMAR1HRH2HRH1
SCHEMBL5578732 0.72 DRD2 (0.48) DRD2SIGMAR1SLC18A3
SCHEMBL5578907 0.71 HPGD (0.35) DRD2SIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 WO disclosed