SCHEMBL29123471

SCHEMBL29123471

N=C(NO)c1ccc(Oc2ncc(-c3ccnn3C3CCCCO3)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 6/20 0.48
CYP4A11 Q02928 6/20 0.48
PDE10A Q9Y233 1/20 0.37
ATR Q13535 11/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
IDH1 O75874 1/20 0.33

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
SCHEMBL30005364 1.00 CYP4F2 (0.48) CYP4F2CYP4A11PDE10AATRHCRTR1
SCHEMBL29123495 0.82 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL30005860 0.82 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL24664798 0.79 CYP4F2 (0.51) CYP4F2CYP4A11ATRIDH1
SCHEMBL30006336 0.78 LTA4H (0.46) CYP4F2CYP4A11
SCHEMBL27171431 0.76 LTA4H (0.59) CYP4F2CYP4A11
SCHEMBL27204689 0.76 LTA4H (0.59) CYP4F2CYP4A11
SCHEMBL30731682 0.75 CYP4F2 (0.48) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL24665369 0.75 LTA4H (0.61) CYP4F2CYP4A11ATRHCRTR1HCRTR2
SCHEMBL27204780 0.74 CYP4F2 (0.41) 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