SCHEMBL24929599

SCHEMBL24929599

COC(=O)c1ccc(Nc2ncc(C(=O)N3CCC(F)(F)CC3)cc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.50
HPGD P15428 2/20 0.45
LRRK2 Q5S007 2/20 0.45
VNN1 O95497 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL23680626 0.89 GRM5 (0.46) GRM5HPGDLRRK2VNN1KDM4E
SCHEMBL23675265 0.88 GRM5 (0.48) GRM5HPGDLRRK2VNN1
SCHEMBL29564740 0.88 GRM5 (0.48) GRM5HPGDLRRK2VNN1
SCHEMBL24929595 0.85 GRM5 (0.46) GRM5HPGDLRRK2
SCHEMBL24929270 0.83 LRRK2 (0.45) HPGDLRRK2THRBKDM4ENPC1
SCHEMBL28883069 0.78 CRBN (0.54) HPGDSMN1; SMN2
SCHEMBL24329653 0.77 GRM5 (0.42) GRM5HPGDLRRK2VNN1
SCHEMBL25300159 0.76 GRM5 (0.60) GRM5HPGDLRRK2KDM4E
SCHEMBL30589648 0.76 GRM5 (0.60) GRM5HPGDLRRK2KDM4E
SCHEMBL13202023 0.74 MAPK1 (0.52) GRM5HPGDTHRBKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201926-A Bicyclic PGDH inhibitors and methods of making and using the same 埃皮里姆生物股份有限公司 2024-06-14 CN disclosed
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