SCHEMBL26677151

SCHEMBL26677151

COc1cc(OC[C@H]2CC[C@H](CBr)CC2)ccc1N(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.46
PARP10 Q53GL7 3/20 0.46
ACACB O00763 3/20 0.38
PDE4B Q07343 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
FFAR1 O14842 4/20 0.36
PARP2 Q9UGN5 1/20 0.36
CNR2 P34972 1/20 0.36
SLC2A1 P11166 3/20 0.35
HSD17B10 Q99714 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
SCHEMBL26677157 1.00 PARP15 (0.46) PARP15PARP10ACACBPDE4BPDE4A
SCHEMBL1853454 0.80 PARP10 (0.41) PARP15PARP10ACACBPARP2
SCHEMBL2548460 0.77 LMNA (0.43) HSD17B10
SCHEMBL26655457 0.77 PARP15 (0.50) PARP15PARP10ACACBPDE4BPDE4A
SCHEMBL26655461 0.77 PARP15 (0.50) PARP15PARP10ACACBPDE4BPDE4A
SCHEMBL26796630 0.74 PARP15 (0.46) PARP15PARP10ACACBPDE4BPDE4A
SCHEMBL30636047 0.74 PARP15 (0.46) PARP15PARP10ACACBPDE4BPDE4A
SCHEMBL5655847 0.74 PTGDR2 (0.38) HSD17B10
SCHEMBL8901981 0.71 PARP10 (0.68) PARP15PARP10ACACBPDE4BPDE4A
SCHEMBL3225566 0.68 DRD2 (0.40) HSD17B10

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
EP-4276097-A1 AMINOPYRIMIDINYL DERIVATIVES FOR THE TREAMENT OF PARKINSON'S DISEASE University Of Dundee (GB) 2023-11-15 EP disclosed