SCHEMBL3269772

SCHEMBL3269772

CCCCc1ccc2c(nnn2CN)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.40
SLC9A1 P19634 4/20 0.34
HCAR3 P49019 2/20 0.32
TYR P14679 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
TOP2A P11388 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TLR8 Q9NR97 1/20 0.30
HSD11B1 P28845 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
SCHEMBL28225051 0.94 GRM2 (0.38) GRM2SLC9A1HCAR3TYRMAPT
SCHEMBL2684545 0.94 GRM2 (0.38) GRM2SLC9A1HCAR3TYRMAPT
SCHEMBL28225054 0.88 GRM2 (0.37) GRM2SLC9A1HTT
SCHEMBL28495537 0.80 GRM2 (0.32) GRM2SLC9A1ALDH1A1MEN1TSHR
SCHEMBL28225053 0.79 GRM2 (0.37) GRM2SLC9A1HCAR3
SCHEMBL28194727 0.77 F7 (0.36) GRM2SLC9A1TYRMAPTALOX15
SCHEMBL28225062 0.77 SLC9A1 (0.33) GRM2SLC9A1TYRALDH1A1MAPT
SCHEMBL28225050 0.77 GRM2 (0.35) GRM2SLC9A1
SCHEMBL29156375 0.74 SLC9A1 (0.33) GRM2SLC9A1TYRALDH1A1MAPT
SCHEMBL29156385 0.74 SLC9A1 (0.33) GRM2SLC9A1TYRALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107614754-B The manufacturing method of the evaporator of refrigerating plant 大金工业株式会社 2018-12-21 CN disclosed
CN-107107587-B Laminate component and touch-screen 东丽株式会社 2018-06-05 CN disclosed
EP-2197994-A1 LUBRICANTS THAT DECREASE MICROPITTING FOR INDUSTRIAL GEARS The Lubrizol Corporation (US) 2010-06-23 EP disclosed
EP-2066771-A2 LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2009-06-10 EP disclosed
WO-2009045979-A1 LUBRICANTS THAT DECREASE MICROPITTING FOR INDUSTRIAL GEARS THE LUBRIZOL CORPORATION (US) 2009-04-09 WO disclosed
WO-2008027883-A2 LUBRICATING COMPOSITION THE LUBRIZOL CORPORATION (US) 2008-03-06 WO disclosed