SCHEMBL26310803

SCHEMBL26310803

CCC1Oc2ncc(CN3CCC(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.48
PARP2 Q9UGN5 7/20 0.48
PARP6 Q2NL67 1/20 0.44
TIPARP Q7Z3E1 1/20 0.44
PARP3 Q9Y6F1 1/20 0.44

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
SCHEMBL26314222 0.89 PARP1 (0.51) PARP1PARP2PARP6PARP3
SCHEMBL26314224 0.89 PARP1 (0.51) PARP1PARP2PARP6PARP3
SCHEMBL26309531 0.89 PARP1 (0.51) PARP1PARP2PARP6PARP3
SCHEMBL26310786 0.86 PARP1 (0.61) PARP1PARP2PARP6TIPARPPARP3
SCHEMBL26310791 0.82 PARP1 (0.63) PARP1PARP2PARP6TIPARPPARP3
SCHEMBL26310798 0.81 PARP1 (0.63) PARP1PARP2PARP6PARP3
SCHEMBL26310788 0.80 PARP1 (0.63) PARP1PARP2PARP6PARP3
SCHEMBL26310787 0.79 PARP1 (0.64) PARP1PARP2PARP6TIPARPPARP3
SCHEMBL26310799 0.79 PARP1 (0.65) PARP1PARP2PARP6PARP3
SCHEMBL25093629 0.77 PARP1 (0.76) PARP1PARP2PARP6TIPARPPARP3

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
WO-2023178035-A1 MULTICYCLIC COMPOUNDS SLAP PHARMACEUTICALS LLC (US) 2023-09-21 WO disclosed