SCHEMBL30005860

SCHEMBL30005860

N#Cc1ccc(Oc2ncc(-c3ccnn3C3CCCCO3)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 6/20 0.48
CYP4A11 Q02928 6/20 0.48
ATR Q13535 11/20 0.41
EGLN2 Q96KS0 1/20 0.38
BTK Q06187 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
SCHEMBL29123495 1.00 CYP4F2 (0.48) CYP4F2CYP4A11ATREGLN2BTK
SCHEMBL30731682 0.85 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL30731706 0.83 CYP4F2 (0.47) CYP4F2CYP4A11ATREGLN2
SCHEMBL27171442 0.83 CYP4F2 (0.47) CYP4F2CYP4A11ATREGLN2
SCHEMBL29123471 0.82 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL30005364 0.82 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL24664798 0.82 CYP4F2 (0.51) CYP4F2CYP4A11ATRBTK
SCHEMBL30006336 0.77 LTA4H (0.46) CYP4F2CYP4A11
SCHEMBL30006051 0.77 CYP4F2 (0.54) CYP4F2CYP4A11ATRBTK
SCHEMBL24665471 0.77 CYP4F2 (0.54) CYP4F2CYP4A11ATRBTK

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 3 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
CN-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 CN disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 WO disclosed