SCHEMBL5459923

SCHEMBL5459923

CCCCCc1ccc2[nH]nnc2c1CCN

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.39
HTR1D P28221 7/20 0.39
HTR1B P28222 7/20 0.39
HTR2A P28223 2/20 0.38
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR8 Q9NR97 9/20 0.33

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
SCHEMBL5449271 0.99 HTR2A (0.41) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5450694 0.99 HTR2A (0.41) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5444828 0.99 HTR2A (0.41) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5450681 0.99 HTR2A (0.41) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5460080 0.99 HTR2A (0.41) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5466830 0.99 HTR2A (0.41) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5465486 0.99 HTR2A (0.41) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5450705 0.96 HTR1A (0.37) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5455693 0.90 HTR1A (0.34) HTR1AHTR1DHTR1BHTR2AMAPT
SCHEMBL5448239 0.90 HTR6 (0.32) HTR1AHTR1DHTR1BMAPK1TDP1

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-8796193-B2 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2014-08-05 US disclosed
US-20070155635-A1 Refrigerating machine oil compositions NIPPON OIL CORPORATION (JP) 2007-07-05 US disclosed