SCHEMBL30006336

SCHEMBL30006336

OCCCn1nnc(-c2ccc(Oc3ncc(-c4ccnn4C4CCCCO4)cc3F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.46
KCNH2 Q12809 4/20 0.46
CYP4F2 P78329 5/20 0.43
CYP4A11 Q02928 5/20 0.43
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 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
SCHEMBL27204689 0.88 LTA4H (0.59) LTA4HKCNH2CYP4F2CYP4A11
SCHEMBL27171431 0.88 LTA4H (0.59) LTA4HKCNH2CYP4F2CYP4A11
SCHEMBL29123471 0.78 CYP4F2 (0.48) CYP4F2CYP4A11
SCHEMBL30005364 0.78 CYP4F2 (0.48) CYP4F2CYP4A11
SCHEMBL29123495 0.77 CYP4F2 (0.48) CYP4F2CYP4A11
SCHEMBL30005860 0.77 CYP4F2 (0.48) CYP4F2CYP4A11
SCHEMBL27204780 0.77 CYP4F2 (0.41) LTA4HKCNH2CYP4F2CYP4A11
SCHEMBL27171391 0.77 CYP4F2 (0.41) LTA4HKCNH2CYP4F2CYP4A11
SCHEMBL24664798 0.76 CYP4F2 (0.51) LTA4HKCNH2CYP4F2CYP4A11
SCHEMBL24665369 0.76 LTA4H (0.61) LTA4HKCNH2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323062-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H Novartis AG (CH) 2024-02-21 EP disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 WO disclosed