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SCHEMBL24664798

SCHEMBL24664798

Fc1cc(Cl)cnc1Oc1ccc(-c2ccnn2C2CCCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 6/20 0.51
▸ CYP4A11 Q02928 6/20 0.51
▸ LTA4H P09960 6/20 0.43
▸ KCNH2 Q12809 4/20 0.43
▸ BTK Q06187 6/20 0.42
▸ IDH1 O75874 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ATR Q13535 1/20 0.40

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
SCHEMBL24665471 0.89 CYP4F2 (0.54) CYP4F2CYP4A11LTA4HKCNH2BTK
SCHEMBL30006051 0.89 CYP4F2 (0.54) CYP4F2CYP4A11LTA4HKCNH2BTK
SCHEMBL29123495 0.82 CYP4F2 (0.48) CYP4F2CYP4A11BTKATR
SCHEMBL30005860 0.82 CYP4F2 (0.48) CYP4F2CYP4A11BTKATR
SCHEMBL29123471 0.79 CYP4F2 (0.48) CYP4F2CYP4A11IDH1ATR
SCHEMBL30005364 0.79 CYP4F2 (0.48) CYP4F2CYP4A11IDH1ATR
SCHEMBL30006336 0.76 LTA4H (0.46) CYP4F2CYP4A11LTA4HKCNH2
SCHEMBL24665369 0.75 LTA4H (0.61) CYP4F2CYP4A11LTA4HKCNH2ATR
SCHEMBL27204689 0.75 LTA4H (0.59) CYP4F2CYP4A11LTA4HKCNH2
SCHEMBL27171431 0.75 LTA4H (0.59) CYP4F2CYP4A11LTA4HKCNH2

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-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 — — WO disclosed