SCHEMBL31464972

SCHEMBL31464972

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 9/20 0.60
▸ TIPARP Q7Z3E1 3/20 0.51
▸ CNR2 P34972 1/20 0.49
▸ CHRM4 P08173 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ PARP1 P09874 2/20 0.46
▸ PARP2 Q9UGN5 2/20 0.46
▸ RET P07949 1/20 0.46

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
SCHEMBL30859971 1.00 PANK3 (0.60) PANK3TIPARPCNR2CHRM4SIGMAR1
SCHEMBL21521550 0.90 PANK3 (0.58) PANK3TIPARPCNR2SIGMAR1CHRM1
SCHEMBL31464881 0.90 PANK3 (0.58) PANK3TIPARPCNR2SIGMAR1CHRM1
SCHEMBL30390270 0.88 PANK3 (0.56) PANK3TIPARPCHRM4SIGMAR1CHRM1
SCHEMBL25268943 0.88 PANK3 (0.56) PANK3TIPARPCHRM4SIGMAR1CHRM1
SCHEMBL21521827 0.87 PANK3 (0.55) PANK3TIPARPCHRM4SIGMAR1CHRM1
SCHEMBL3554489 0.82 PANK3 (0.63) PANK3CNR2RET
SCHEMBL30546362 0.82 PANK3 (0.63) PANK3CNR2RET
SCHEMBL31464945 0.82 PANK3 (0.63) PANK3TIPARPCNR2CHRM1PARP1
SCHEMBL31464968 0.82 PANK3 (0.59) PANK3TIPARPCNR2CHRM4PARP1

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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