SCHEMBL26314780

SCHEMBL26314780

CC[C@@H]1Oc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(C)c2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.51
PARP2 Q9UGN5 15/20 0.51
PARP6 Q2NL67 12/20 0.51
PARP3 Q9Y6F1 11/20 0.51
TNKS O95271 4/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL26309940 1.00 PARP1 (0.51) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314774 1.00 PARP1 (0.51) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309657 0.92 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314490 0.92 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314487 0.92 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309941 0.91 PARP1 (0.49) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314782 0.91 PARP1 (0.49) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314784 0.91 PARP1 (0.49) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309648 0.85 PARP1 (0.59) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314475 0.85 PARP1 (0.59) PARP1PARP2PARP6PARP3TNKS

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