SCHEMBL31464968

SCHEMBL31464968

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 9/20 0.59
▸ CNR2 P34972 1/20 0.49
▸ HRH2 P25021 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ PARP1 P09874 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ TIPARP Q7Z3E1 6/20 0.44
▸ CHRM4 P08173 1/20 0.43

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
SCHEMBL30859867 1.00 PANK3 (0.59) PANK3CNR2HRH2HRH1PARP1
SCHEMBL31464996 1.00 PANK3 (0.59) PANK3CNR2HRH2HRH1PARP1
SCHEMBL30860102 1.00 PANK3 (0.59) PANK3CNR2HRH2HRH1PARP1
SCHEMBL30860010 0.84 PANK3 (0.67) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL30859933 0.84 PANK3 (0.67) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL3554489 0.82 PANK3 (0.63) PANK3CNR2
SCHEMBL30546362 0.82 PANK3 (0.63) PANK3CNR2
SCHEMBL31464986 0.82 PANK3 (0.57) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL31464932 0.82 PANK3 (0.57) PANK3CNR2PARP1PARP2TIPARP
SCHEMBL30860086 0.82 PANK3 (0.57) PANK3CNR2PARP1PARP2TIPARP

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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