SCHEMBL30782833

SCHEMBL30782833

CN(CC1COCc2c(-c3ccnc(C(F)(F)F)c3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
PARP16 Q8N5Y8 1/20 0.35
PARP11 Q9NR21 1/20 0.35
UCHL1 P09936 2/20 0.34
PDK2 Q15119 1/20 0.33
KCNH2 Q12809 2/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
RAF1 P04049 6/20 0.32
IDH1 O75874 1/20 0.32
HDAC4 P56524 1/20 0.31
BRAF P15056 4/20 0.31
HTR2C P28335 2/20 0.30
SLC6A4 P31645 2/20 0.30
TACR1 P25103 1/20 0.30

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
SCHEMBL30782883 1.00 PARP15 (0.35) PARP15PARP14PARP10TIPARPPARP16
SCHEMBL30782852 0.89 BRD4 (0.34) UCHL1PDK2HTR2CSLC6A4
SCHEMBL30782903 0.89 BRD4 (0.34) UCHL1PDK2HTR2CSLC6A4
SCHEMBL30782909 0.87 GRM5 (0.34) UCHL1
SCHEMBL30782862 0.87 GRM5 (0.34) UCHL1
SCHEMBL30782921 0.87 UCHL1 (0.34) PARP15PARP14PARP10TIPARPPARP16
SCHEMBL30782914 0.87 UCHL1 (0.34) PARP15PARP14PARP10TIPARPPARP16
SCHEMBL30782865 0.86 UCHL1 (0.38) PARP15PARP14PARP10TIPARPPARP16
SCHEMBL30782882 0.84 ACACB (0.39) PARP15PARP14PARP10TIPARPPARP16
SCHEMBL29923280 0.82 KDM4C (0.33) PARP15PARP14PARP10TIPARPPARP16

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4593954-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI Drug Discovery LLC (US) 2025-08-06 EP disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed