SCHEMBL29324071

SCHEMBL29324071

COC(=O)c1ccc(C2CN(CC(F)F)CCN2)c2c1NC(=O)CO2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
DRD2 P14416 4/20 0.32
DRD4 P21917 4/20 0.32
DRD3 P35462 4/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ADRB1 P08588 7/20 0.31
ADRB2 P07550 4/20 0.31
KCNJ1 P48048 4/20 0.30
DRD1 P21728 1/20 0.30
HTR2A P28223 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
SCHEMBL31056713 1.00 SCN1A (0.32) SCN1ASCN5ASCN9ADRD2DRD4
SCHEMBL29323710 0.86 MAP4K1 (0.32)
SCHEMBL31056780 0.86 MAP4K1 (0.32)
SCHEMBL31056754 0.83 HTR4 (0.34)
SCHEMBL29322208 0.78 PARP1 (0.38) PRMT5WDR77
SCHEMBL31056959 0.77 SLC6A2 (0.34) DRD2DRD4DRD3ADRB1ADRB2
SCHEMBL29324068 0.77 SLC6A2 (0.34) DRD2DRD4DRD3ADRB1ADRB2
SCHEMBL29323240 0.75 CA12 (0.39) ADRB1ADRB2
SCHEMBL29320165 0.72 XIAP (0.34)
SCHEMBL31056638 0.71 CD274 (0.34)

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