SCHEMBL30731682

SCHEMBL30731682

N#Cc1ccccc1Oc1ncc(-c2ccnn2C2CCCCO2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 5/20 0.48
CYP4A11 Q02928 5/20 0.48
ATR Q13535 12/20 0.42
SCN9A Q15858 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL29123495 0.85 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL30005860 0.85 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL1814288 0.76 CYP4F2 (0.55) CYP4F2CYP4A11ATR
SCHEMBL30005364 0.75 CYP4F2 (0.48) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL29123471 0.75 CYP4F2 (0.48) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL24664798 0.74 CYP4F2 (0.51) CYP4F2CYP4A11ATR
SCHEMBL25262023 0.74 CYP4F2 (0.50) CYP4F2CYP4A11ATR
SCHEMBL30509961 0.74 CYP4F2 (0.50) CYP4F2CYP4A11ATR
SCHEMBL29176662 0.73 CYP4F2 (0.51) CYP4F2CYP4A11ATR
SCHEMBL1814254 0.73 CYP4F2 (0.48) CYP4F2CYP4A11ATR

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
CN-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 CN disclosed