SCHEMBL29322206

SCHEMBL29322206

COC(=O)c1ccc(C2CNCCN2)c2c1NCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.37
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
MAPK10 P53779 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2B Q14289 1/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
SLC6A3 Q01959 2/20 0.30
DRD2 P14416 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
SCHEMBL31467009 0.80 PARP1 (0.40) PARP1MEN1MAPTTSHRHTT
SCHEMBL26984319 0.80 PARP1 (0.40) PARP1MEN1MAPTTSHRHTT
SCHEMBL31056598 0.79 SLC6A2 (0.37) PARP1SLC6A2SLC6A4CTSLCTSB
SCHEMBL29323708 0.79 SLC6A2 (0.37) PARP1SLC6A2SLC6A4CTSLCTSB
SCHEMBL29322208 0.76 PARP1 (0.38) PARP1
SCHEMBL5328082 0.74 PARP1 (0.53) PARP1
SCHEMBL4516849 0.74 SLC6A2 (0.44) PARP1SLC6A2SLC6A4MEN1MAPT
SCHEMBL31056540 0.73 SLC6A2 (0.38) PARP1SLC6A2SLC6A4CTSLCTSB
SCHEMBL29321033 0.73 SLC6A2 (0.38) PARP1SLC6A2SLC6A4CTSLCTSB
SCHEMBL31056959 0.73 SLC6A2 (0.34) PARP1SLC6A2SLC6A4CTSLCTSB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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