SCHEMBL23219261

SCHEMBL23219261

CCOC(=O)c1coc2c(CN(C)CC3CC3)cc(Br)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 2/20 0.34
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
PDE4B Q07343 1/20 0.32
LSS P48449 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
DYRK1A Q13627 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL31615139 1.00 GABRA1 (0.36) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL28736162 0.87 HDAC3 (0.33) LSSHDAC3HDAC1HDAC2HDAC8
SCHEMBL29852836 0.85 ABCB11 (0.38) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL23218323 0.85 ABCB11 (0.38) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL29852641 0.84 GABRA1 (0.42) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL23218592 0.84 GABRA1 (0.42) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL23218799 0.79 ADRA2A (0.32) LMNAHIF1AHDAC3HDAC1HDAC2
SCHEMBL29591636 0.79 ADRA2A (0.32) LMNAHIF1AHDAC3HDAC1HDAC2
SCHEMBL23218838 0.78 ALDH1A1 (0.42) GABRA1GABRB1GABRA3GABRB2ALDH1A1
SCHEMBL29853260 0.78 ALDH1A1 (0.42) GABRA1GABRB1GABRA3GABRB2ALDH1A1

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
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed