SCHEMBL31464955

SCHEMBL31464955

CN(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 8/20 0.59
▸ RET P07949 1/20 0.49
▸ TIPARP Q7Z3E1 3/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ PARP1 P09874 6/20 0.45
▸ PARP2 Q9UGN5 3/20 0.45

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
SCHEMBL30859861 1.00 PANK3 (0.59) PANK3RETTIPARPCHRM1CNR2
SCHEMBL30860008 0.90 PANK3 (0.57) PANK3TIPARPCHRM1PARP1PARP2
SCHEMBL31464937 0.90 PANK3 (0.57) PANK3TIPARPCHRM1PARP1PARP2
SCHEMBL31464914 0.87 PANK3 (0.54) PANK3TIPARPCHRM1CNR2PARP1
SCHEMBL30859828 0.87 PANK3 (0.54) PANK3TIPARPCHRM1CNR2PARP1
SCHEMBL21521591 0.85 PANK3 (0.54) PANK3RETTIPARPCHRM1CNR2
SCHEMBL21520947 0.82 PANK3 (0.55) PANK3TIPARPCHRM1PARP1PARP2
SCHEMBL30546362 0.82 PANK3 (0.63) PANK3RETCNR2
SCHEMBL3554489 0.82 PANK3 (0.63) PANK3RETCNR2
SCHEMBL31464986 0.81 PANK3 (0.57) PANK3RETTIPARPCNR2PARP1

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
CN-119968364-A Pyridazin-3 (2H) -one and pyridin-2 (1H) -one PARP inhibitor compounds 阿兹卡拉疗法公司 2025-05-09 — — CN disclosed
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