SCHEMBL30782865

SCHEMBL30782865

CN(CC1CCCc2c(-c3ccnc(C(F)(F)F)c3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.38
HTR6 P50406 2/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
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
KDM2B Q8NHM5 2/20 0.34
KDM5B Q9UGL1 2/20 0.34
SLC6A4 P31645 3/20 0.33
HTR2C P28335 2/20 0.33
HTR1A P08908 1/20 0.33
PDK2 Q15119 1/20 0.33

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 0.86 PARP15 (0.35) UCHL1PARP15PARP14PARP10TIPARP
SCHEMBL30782833 0.86 PARP15 (0.35) UCHL1PARP15PARP14PARP10TIPARP
SCHEMBL30782853 0.84 KDM4C (0.33) UCHL1PARP15PARP14PARP10TIPARP
SCHEMBL30782890 0.84 KDM4C (0.33) UCHL1PARP15PARP14PARP10TIPARP
SCHEMBL27214623 0.84 KDM4C (0.33) UCHL1PARP15PARP14PARP10TIPARP
SCHEMBL30782850 0.84 KDM4C (0.33) UCHL1PARP15PARP14PARP10TIPARP
SCHEMBL29923280 0.84 KDM4C (0.33) UCHL1PARP15PARP14PARP10TIPARP
SCHEMBL30782866 0.84 UCHL1 (0.35) UCHL1CYP11B1CYP11B2PARP15PARP14
SCHEMBL30782895 0.84 UCHL1 (0.35) UCHL1CYP11B1CYP11B2PARP15PARP14
SCHEMBL30782838 0.84 ACACB (0.41) UCHL1HTR6CYP11B1CYP11B2PARP15

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