SCHEMBL30005212

SCHEMBL30005212

Fc1cncc(-c2ccnn2C2CCCCO2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.60
CYP4A11 Q02928 4/20 0.60
ATR Q13535 15/20 0.43
IDH1 O75874 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
SCHEMBL18454803 0.79 CYP4F2 (0.51) CYP4F2CYP4A11ATRIDH1
SCHEMBL20153769 0.79 CYP4F2 (0.48) CYP4F2CYP4A11ATR
SCHEMBL12092426 0.77 CYP4F2 (0.52) CYP4F2CYP4A11ATR
SCHEMBL25257638 0.76 CYP4F2 (0.53) CYP4F2CYP4A11ATRIDH1
SCHEMBL30509486 0.76 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL9977805 0.76 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL1814288 0.76 CYP4F2 (0.55) CYP4F2CYP4A11ATRIDH1
SCHEMBL20662128 0.75 CYP4F2 (0.54) CYP4F2CYP4A11ATRIDH1
SCHEMBL22968022 0.75 CYP4F2 (1.00) CYP4F2CYP4A11ATR
SCHEMBL18985877 0.74 CYP4F2 (0.50) CYP4F2CYP4A11ATRIDH1

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