SCHEMBL24929596

SCHEMBL24929596

COC(=O)c1ccc(-n2nnc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.57
LRRK2 Q5S007 1/20 0.42
RXRA P19793 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
VNN1 O95497 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
NPC1 O15118 1/20 0.37
ADORA2A P29274 1/20 0.37
GABRA5 P31644 1/20 0.37
CRBN Q96SW2 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL24463691 0.88 HPGD (0.53) HPGDLRRK2RXRAVNN1ALDH1A1
SCHEMBL30361471 0.87 HPGD (0.52) HPGDLRRK2RXRAVNN1ADORA2A
SCHEMBL24929267 0.85 HPGD (0.50) HPGDLRRK2ALDH1A1HTTIDO1
SCHEMBL24929885 0.83 HPGD (0.51) HPGDADORA2A
SCHEMBL30947679 0.82 HPGD (0.48) HPGDLRRK2RXRAVNN1ALDH1A1
SCHEMBL24929883 0.82 HPGD (0.48) HPGDLRRK2RXRAVNN1ALDH1A1
SCHEMBL24929598 0.82 HPGD (0.56) HPGDLRRK2ACACBACACAALDH1A1
SCHEMBL30947683 0.81 HPGD (0.50) HPGDLRRK2RXRAVNN1ADORA2A
SCHEMBL24928924 0.80 HPGD (0.52) HPGDLRRK2RXRAVNN1ADORA2A
SCHEMBL30361451 0.80 HPGD (0.52) HPGDLRRK2RXRAVNN1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377314-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING Epirium Bio Inc. (US) 2024-06-05 EP disclosed
WO-2023009618-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO, INC. (US) 2023-02-02 WO disclosed
WO-2023009618-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO, INC. (US) 2023-02-02 WO disclosed