SCHEMBL29324068

SCHEMBL29324068

COC(=O)c1ccc(C2CNCCN2)c2c1NC(=O)CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
DRD4 P21917 2/20 0.33
ALOX5 P09917 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
ADRB1 P08588 4/20 0.32
PARP1 P09874 1/20 0.31
ADRB2 P07550 1/20 0.31
FUCA1 P04066 1/20 0.31
CRBN Q96SW2 2/20 0.30
GRM5 P41594 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL31056959 1.00 SLC6A2 (0.34) SLC6A2SLC6A4DRD2DRD3DRD4
SCHEMBL29323708 0.83 SLC6A2 (0.37) SLC6A2SLC6A4ALOX5PARP1FUCA1
SCHEMBL31056598 0.83 SLC6A2 (0.37) SLC6A2SLC6A4ALOX5PARP1FUCA1
SCHEMBL31056540 0.80 SLC6A2 (0.38) SLC6A2SLC6A4PARP1FUCA1CTSL
SCHEMBL29321033 0.80 SLC6A2 (0.38) SLC6A2SLC6A4PARP1FUCA1CTSL
SCHEMBL29324071 0.77 SCN1A (0.32) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL31056713 0.77 SCN1A (0.32) DRD2DRD3DRD4ADRB1ADRB2
SCHEMBL29323699 0.75 KDM4E (0.38) DRD2DRD3DRD4ALOX5SMYD3
SCHEMBL29322206 0.73 PARP1 (0.37) SLC6A2SLC6A4DRD2DRD3DRD4
SCHEMBL4516849 0.71 SLC6A2 (0.44) SLC6A2SLC6A4PARP1CRBNKDM4E

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