SCHEMBL26314219

SCHEMBL26314219

CC[C@@H]1Oc2ccc(CC3CCN(c4ccc(C(=O)NC)nc4)CC3)cc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.47
PARP2 Q9UGN5 5/20 0.46
KCNH2 Q12809 2/20 0.46
PARP6 Q2NL67 3/20 0.45
PARP3 Q9Y6F1 3/20 0.45
TIPARP Q7Z3E1 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
SCHEMBL26314216 1.00 PARP1 (0.47) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309530 1.00 PARP1 (0.47) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26310976 0.89 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309532 0.89 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314230 0.89 PARP1 (0.62) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314041 0.84 PARP1 (0.51) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26314040 0.84 PARP1 (0.51) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309371 0.84 PARP1 (0.51) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26309091 0.83 PARP1 (0.59) PARP1PARP2KCNH2PARP6PARP3
SCHEMBL26313564 0.83 PARP1 (0.59) PARP1PARP2KCNH2PARP6PARP3

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