SCHEMBL29565007

SCHEMBL29565007

COC(=O)c1cccc(-n2ccc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
PTK2 Q05397 4/20 0.47
MGLL Q99685 1/20 0.44
OPRD1 P41143 1/20 0.41
EGFR P00533 2/20 0.40
DDR1 Q08345 2/20 0.39
LRRK2 Q5S007 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL23675325 1.00 HPGD (0.57) HPGDPTK2MGLLOPRD1EGFR
SCHEMBL23675180 0.90 HPGD (0.58) HPGDPTK2MGLLOPRD1LRRK2
SCHEMBL29564917 0.89 HPGD (0.51) HPGDPTK2MGLLDDR1LRRK2
SCHEMBL23675129 0.89 HPGD (0.51) HPGDPTK2MGLLDDR1LRRK2
SCHEMBL29564747 0.89 HPGD (0.61) HPGDPTK2MGLLEGFRDDR1
SCHEMBL30201394 0.89 HPGD (0.61) HPGDMGLLEGFRDDR1
SCHEMBL23675344 0.89 HPGD (0.61) HPGDPTK2MGLLEGFRDDR1
SCHEMBL24942913 0.89 HPGD (0.61) HPGDMGLLEGFRDDR1
SCHEMBL23675203 0.88 HPGD (0.54) HPGDMGLLDDR1LRRK2
SCHEMBL29565019 0.88 HPGD (0.54) HPGDMGLLDDR1LRRK2

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-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 EP disclosed
EP-4093385-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Myoforte Therapeutics Inc. (US) 2022-11-30 EP disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed