SCHEMBL1249911

SCHEMBL1249911

CN1CCCN(CCc2n[nH]c(=O)c3c2NCCC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.52

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
SCHEMBL1251270 0.94 PARP1 (0.51) PARP1
Hydrochloric Acid SCHEMBL1251401 0.89 PARP1 (0.53) PARP1
SCHEMBL1249814 0.88 PARP1 (0.49) PARP1
Hydrochloric Acid SCHEMBL1251317 0.87 PARP1 (0.48) PARP1
Hydrochloric Acid SCHEMBL1251406 0.85 PARP1 (0.46) PARP1
SCHEMBL1252640 0.84 PARP1 (0.57) PARP1
SCHEMBL1249820 0.84 PARP1 (0.57) PARP1
Hydrochloric Acid SCHEMBL1249905 0.84 PARP1 (0.46) PARP1
SCHEMBL1249630 0.84 PARP1 (0.67) PARP1
Hydrochloric Acid SCHEMBL1252106 0.83 PARP1 (0.45) PARP1

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
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 — — EP claimed
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