SCHEMBL5433716

SCHEMBL5433716

CCCNCCc1cccc2[nH]nnc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.45
SLC6A2 P23975 3/20 0.45
DRD2 P14416 1/20 0.42
MPO P05164 3/20 0.38
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.33
ADRB2 P07550 1/20 0.33
G6PD P11413 1/20 0.32
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GAA P10253 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL5430548 0.92 MPO (0.40) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5426875 0.90 SIGMAR1 (0.44) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5425750 0.89 SIGMAR1 (0.43) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5429115 0.89 SIGMAR1 (0.43) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5429044 0.89 SIGMAR1 (0.43) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5418045 0.89 SIGMAR1 (0.43) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5428696 0.89 SIGMAR1 (0.43) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5421147 0.89 SIGMAR1 (0.43) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5425512 0.89 SIGMAR1 (0.43) HTR2ASLC6A2DRD2MPOHTR1D
SCHEMBL5421078 0.87 TERT (0.41) HTR2ASLC6A2DRD2HTR2CMC5R

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-8083965-B2 Refrigerating machine oil NIPPON OIL CORPORATION (JP) 2011-12-27 US disclosed
US-20070275865-A1 Refrigerating Machine Oil NIPPON OIL CORPORATION (JP) 2007-11-29 US disclosed
US-20070257229-A1 Refrigerating Machine Oil Composition NIPPON OIL CORPORATION (JP) 2007-11-08 US disclosed