SCHEMBL30006051

SCHEMBL30006051

Fc1cc(Cl)cnc1Oc1ccc(-c2ccnn2C2CCCCO2)nc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 6/20 0.54
CYP4A11 Q02928 6/20 0.54
ATR Q13535 10/20 0.40
IDH1 O75874 1/20 0.38
BTK Q06187 2/20 0.36
LTA4H P09960 1/20 0.36
KCNH2 Q12809 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
SCHEMBL24665471 1.00 CYP4F2 (0.54) CYP4F2CYP4A11ATRIDH1BTK
SCHEMBL24664798 0.89 CYP4F2 (0.51) CYP4F2CYP4A11ATRIDH1BTK
SCHEMBL19276681 0.78 CYP4F2 (0.65) CYP4F2CYP4A11ATR
SCHEMBL29123495 0.77 CYP4F2 (0.48) CYP4F2CYP4A11ATRBTK
SCHEMBL30005860 0.77 CYP4F2 (0.48) CYP4F2CYP4A11ATRBTK
SCHEMBL20730108 0.76 CYP4F2 (0.69) CYP4F2CYP4A11ATR
SCHEMBL30509486 0.76 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL9977805 0.76 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL19277056 0.76 CYP4F2 (0.68) CYP4F2CYP4A11ATR
SCHEMBL22070830 0.75 CYP4F2 (0.65) 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 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