SCHEMBL31464945

SCHEMBL31464945

CNCC(=O)N1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 9/20 0.63
TIPARP Q7Z3E1 1/20 0.52
PARP1 P09874 8/20 0.52
PARP2 Q9UGN5 4/20 0.52
CHRM1 P11229 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL30859740 0.88 PANK3 (0.61) PANK3PARP1PARP2CHRM1
SCHEMBL26291384 0.88 PANK3 (0.61) PANK3TIPARPPARP1PARP2CHRM1
SCHEMBL26292516 0.88 PANK3 (0.61) PANK3PARP1PARP2CHRM1
SCHEMBL15014105 0.86 PANK3 (0.67) PANK3PARP1PARP2CHRM1
SCHEMBL31464961 0.84 PANK3 (0.57) PANK3PARP1PARP2CHRM1CNR2
SCHEMBL19748497 0.84 PANK3 (0.64) PANK3PARP1PARP2CHRM1
SCHEMBL21521835 0.84 PANK3 (0.64) PANK3PARP1PARP2CHRM1
SCHEMBL31464990 0.84 PANK3 (0.64) PANK3PARP1PARP2CHRM1
SCHEMBL2120919 0.84 PANK3 (0.64) PANK3PARP1PARP2CHRM1
Hydrochloric Acid SCHEMBL30859810 0.83 PANK3 (0.56) PANK3PARP1PARP2CHRM1CNR2

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