SCHEMBL5429115

SCHEMBL5429115

CCCCCCCCCCCCNCCc1cccc2[nH]nnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
MPO P05164 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP4Z1 Q86W10 4/20 0.34
CHRM2 P08172 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR2 O95136 1/20 0.34

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
SCHEMBL5425750 1.00 SIGMAR1 (0.43) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL5425512 1.00 SIGMAR1 (0.43) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL5428696 1.00 SIGMAR1 (0.43) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL5421147 1.00 SIGMAR1 (0.43) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL5418045 1.00 SIGMAR1 (0.43) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL5429044 1.00 SIGMAR1 (0.43) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL5426875 0.99 SIGMAR1 (0.44) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL14953621 0.95 SIGMAR1 (0.40) SIGMAR1HRH4HRH3S1PR2S1PR1
SCHEMBL5430548 0.95 MPO (0.40) SIGMAR1HTR1AHTR1DHTR1BSLC6A2
SCHEMBL5433716 0.89 HTR2A (0.45) SIGMAR1HTR1DSLC6A2HTR2AMPO

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