SCHEMBL25041766

SCHEMBL25041766

CCC1CCCN(c2ccc(NCC3CCCCC3)c(C)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 10/20 0.42
▸ IDH1 O75874 7/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PTGER4 P35408 2/20 0.37

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
SCHEMBL25042115 0.84 MEN1 (0.38) HSD11B1IDH1PTGER4
SCHEMBL25039643 0.78 TRPV3 (0.41) MAP4K4
SCHEMBL25041785 0.76 HPGDS (0.39) —
SCHEMBL25042439 0.76 KDM4E (0.38) —
SCHEMBL25042133 0.74 KDM4E (0.35) —
SCHEMBL25039825 0.73 HRH4 (0.32) HSD11B1
SCHEMBL25041764 0.73 KHK (0.38) PTGER4
SCHEMBL30279044 0.73 KHK (0.38) PTGER4
SCHEMBL25042002 0.73 KHK (0.38) PTGER4
SCHEMBL30279074 0.73 KHK (0.38) PTGER4

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-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
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