SCHEMBL5465486

SCHEMBL5465486

CCCCCCc1ccc2[nH]nnc2c1CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR1A P08908 8/20 0.40
HTR1D P28221 7/20 0.40
HTR1B P28222 7/20 0.40
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TYR P14679 2/20 0.34
ALOX5 P09917 1/20 0.34
ALOX15 P16050 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
SCHEMBL5466830 1.00 HTR2A (0.41) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5450681 1.00 HTR2A (0.41) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5449271 1.00 HTR2A (0.41) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5450694 1.00 HTR2A (0.41) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5460080 1.00 HTR2A (0.41) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5444828 1.00 HTR2A (0.41) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5459923 0.99 HTR1A (0.39) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5450705 0.94 HTR1A (0.37) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5449262 0.90 HTR1A (0.36) HTR2AHTR1AHTR1DHTR1BMAPT
SCHEMBL5447119 0.90 HTR1A (0.36) HTR2AHTR1AHTR1DHTR1BMAPT

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