SCHEMBL26025077

SCHEMBL26025077

CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3c(=O)[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.56
▸ PARP1 P09874 8/20 0.48
▸ PARP2 Q9UGN5 4/20 0.47
▸ TNKS O95271 2/20 0.46
▸ TNKS2 Q9H2K2 2/20 0.46
▸ GPR119 Q8TDV5 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44

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
SCHEMBL25363012 1.00 HPGDS (0.56) HPGDSPARP1PARP2TNKSTNKS2
SCHEMBL30496093 0.95 HPGDS (0.57) HPGDSPARP1TNKSTNKS2USP30
SCHEMBL25363420 0.95 HPGDS (0.57) HPGDSPARP1TNKSTNKS2USP30
SCHEMBL30496019 0.94 HPGDS (0.55) HPGDSPARP1TNKSTNKS2GPR119
SCHEMBL7718379 0.94 HPGDS (0.55) HPGDSPARP1TNKSTNKS2GPR119
SCHEMBL26911916 0.91 HPGDS (0.46) HPGDSPARP1KDM4E
SCHEMBL25362749 0.90 PARP1 (0.51) HPGDSPARP1GPR119KDM4EMAPT
SCHEMBL25363414 0.90 PARP1 (0.51) HPGDSPARP1GPR119KDM4EMAPT
SCHEMBL26025078 0.90 PARP1 (0.51) HPGDSPARP1GPR119KDM4EMAPT
SCHEMBL25430145 0.89 HPGDS (0.47) HPGDSPARP1GPR119USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4674841-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2026-01-07 — — EP disclosed
CN-118973578-A Pharmaceutical compounds 杜克街生物有限公司 2024-11-15 — — CN disclosed
EP-4444305-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-10-16 — — EP disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
Send feedback