SCHEMBL29323710

SCHEMBL29323710

COC(=O)c1ccc(C2CN(CC(F)F)CCN2)c2c1NCCO2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CD274 Q9NZQ7 1/20 0.30
XIAP P98170 1/20 0.30
BIRC2 Q13490 1/20 0.30

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
SCHEMBL31056780 1.00 MAP4K1 (0.32) MAP4K1SLC6A2SLC6A4CD274XIAP
SCHEMBL31056754 0.89 HTR4 (0.34) SLC6A2SLC6A4XIAPBIRC2
SCHEMBL31056713 0.86 SCN1A (0.32)
SCHEMBL29324071 0.86 SCN1A (0.32)
SCHEMBL29322208 0.83 PARP1 (0.38) XIAPBIRC2
SCHEMBL31056598 0.76 SLC6A2 (0.37) SLC6A2SLC6A4
SCHEMBL29323708 0.76 SLC6A2 (0.37) SLC6A2SLC6A4
SCHEMBL29323240 0.76 CA12 (0.39) XIAPBIRC2
SCHEMBL29320165 0.73 XIAP (0.34) XIAPBIRC2
SCHEMBL31056638 0.72 CD274 (0.34) CD274XIAPBIRC2

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed