SCHEMBL4080135

SCHEMBL4080135

Nc1nccc(-c2ccc(OCCN3CCCC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.56
HRH3 Q9Y5N1 5/20 0.56
PTGS2 P35354 2/20 0.55
PTGS1 P23219 1/20 0.55
PRKAB2 O43741 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAG3 Q9UGI9 1/20 0.54
PRKAG2 Q9UGJ0 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54
ACHE P22303 3/20 0.53
MAOB P27338 2/20 0.53
BCHE P06276 1/20 0.53
MAOA P21397 1/20 0.53
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
MCHR1 Q99705 1/20 0.50

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
SCHEMBL8096602 0.82 NOS3 (0.60) LTA4HHRH3PTGS2PTGS1ACHE
SCHEMBL5998450 0.78 HRH3 (0.55) LTA4HHRH3PTGS2PTGS1ACHE
SCHEMBL265809 0.78 LTA4H (0.55) LTA4HHRH3PTGS2PTGS1PRKAB2
SCHEMBL22838451 0.76 LTA4H (0.56) LTA4HHRH3PTGS2PTGS1PRKAB2
SCHEMBL28997664 0.75 LTA4H (0.55) LTA4HHRH3PTGS2PTGS1ACHE
SCHEMBL56495 0.75 LTA4H (0.90) LTA4HHRH3PTGS2PTGS1PSMB1
SCHEMBL23724061 0.74 LTA4H (0.87) LTA4HHRH3PTGS2PTGS1PSMB1
Hydrochloric Acid SCHEMBL15254264 0.74 LTA4H (0.87) LTA4HHRH3PTGS2PTGS1PSMB1
SCHEMBL3937460 0.74 LTA4H (0.87) LTA4HHRH3PTGS2PTGS1PSMB1
SCHEMBL30488017 0.73 ACHE (0.58) LTA4HHRH3ACHEMAOBBCHE

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
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO claimed