SCHEMBL26314914

SCHEMBL26314914

CNC(=O)c1ncc(N2CCN(Cc3ccc4c(c3F)NC(=O)[C@@H](C3CC3)O4)CC2)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.44
PARP2 Q9UGN5 11/20 0.44
PARP6 Q2NL67 9/20 0.39
PARP3 Q9Y6F1 8/20 0.39
TNKS O95271 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.34

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
SCHEMBL26314915 1.00 PARP1 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26310081 1.00 PARP1 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314910 0.93 PARP1 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26310080 0.93 PARP1 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314912 0.93 PARP1 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309945 0.89 PARP1 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314900 0.89 PARP1 (0.44) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26309840 0.88 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314618 0.88 PARP1 (0.54) PARP1PARP2PARP6PARP3TNKS
SCHEMBL26314616 0.88 PARP1 (0.54) 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