SCHEMBL6949217

SCHEMBL6949217

O=CN(CCc1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
ALOX5 P09917 5/20 0.40
AOC3 Q16853 2/20 0.40
TSHR P16473 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTB4R Q15722 2/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
BCHE P06276 2/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL6253004 0.90 KCNH2 (0.43) ALOX5AOC3BCHE
SCHEMBL27348016 0.86 OPRK1 (0.56) OPRK1
SCHEMBL9417052 0.84 TSHR (0.38) TSHRKMT2ATDP1IDO1
SCHEMBL26130465 0.84 ALOX5 (0.40) ALOX5TSHROPRK1BCHE
SCHEMBL8495462 0.84 CCR6 (0.38) TSHRMEN1KMT2ATDP1IDO1
SCHEMBL1415899 0.84 TSHR (0.38) TSHRNPC1RAB9AKMT2ATDP1
SCHEMBL10473639 0.84 CARM1 (0.41) TAAR1TSHRMEN1KMT2AIDO1
SCHEMBL7372303 0.84 TSHR (0.42) TSHRIDO1
SCHEMBL8960248 0.81 TSHR (0.41) ALOX5AOC3TSHRIDO1
SCHEMBL6951407 0.81 HTT (0.44) ALOX5NPC1RAB9A

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
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 EP disclosed
US-6150567-A REACTING CARBONYL COMPOUND WITH ORGANOALUMINUM COMPOUND TO FORM AN ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2000-11-21 US disclosed
EP-0827943-A1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORPORATION (JP) 1998-03-11 EP disclosed