SCHEMBL5455693

SCHEMBL5455693

CCCCCc1ccc2[nH]nnc2c1CN

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
TYR P14679 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 1/20 0.33
TLR8 Q9NR97 9/20 0.32
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL5450961 0.99 HTR1A (0.36) HTR1AHTR1DHTR1BTYRMEN1
SCHEMBL5449221 0.99 HTR1A (0.36) HTR1AHTR1DHTR1BTYRMEN1
SCHEMBL5459877 0.99 HTR1A (0.36) HTR1AHTR1DHTR1BTYRMEN1
SCHEMBL5447119 0.99 HTR1A (0.36) HTR1AHTR1DHTR1BTYRMEN1
SCHEMBL5449262 0.99 HTR1A (0.36) HTR1AHTR1DHTR1BTYRMEN1
SCHEMBL5460072 0.99 HTR1A (0.36) HTR1AHTR1DHTR1BTYRMEN1
SCHEMBL5455645 0.99 HTR1A (0.36) HTR1AHTR1DHTR1BTYRMEN1
SCHEMBL5465510 0.96 DPP4 (0.33) HTR1ATYRTP53TSHRTLR8
SCHEMBL5459923 0.90 HTR1A (0.39) HTR1AHTR1DHTR1BMEN1TP53
SCHEMBL5453435 0.90 DPP4 (0.30)

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