SCHEMBL9160924

SCHEMBL9160924

COC1CCOC(c2cccc(COc3ccc4c(-c5ccccc5)cc(=O)n(CC5CCCCC5)c4c3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
CNR2 P34972 3/20 0.39
DYRK1A Q13627 2/20 0.38
MAOB P27338 3/20 0.36
MAPK8 P45983 1/20 0.35
ALOX5 P09917 4/20 0.35
GRM5 P41594 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9154816 0.90 MAOB (0.38) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9158135 0.90 ALOX5 (0.42) DYRK1AMAOBALOX5GRM5NPC1
SCHEMBL9161622 0.89 MAOB (0.39) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9160895 0.86 MAOB (0.38) MAOBALOX5GRM5NPC1ALDH1A1
SCHEMBL9155086 0.85 FAAH (0.40) MAOBALOX5
SCHEMBL9155047 0.83 ALOX5 (0.52) DYRK1AALOX5
SCHEMBL9153222 0.83 ALOX5 (0.39) DYRK1AMAOBALOX5GRM5
SCHEMBL9157666 0.83 ALOX5 (0.39) DYRK1AMAOBALOX5GRM5NPC1
SCHEMBL9160911 0.81 MEN1 (0.44) DYRK1AMAOBALOX5GRM5NPC1
SCHEMBL9161283 0.81 ALOX5 (0.45) DYRK1AMAOBALOX5GRM5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5410054-A Heteroaryl quinolines as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed