SCHEMBL24329653

SCHEMBL24329653

NNc1cc(C(=O)N2CCC(F)(F)CC2)cnc1Nc1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.42
LRRK2 Q5S007 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
VNN1 O95497 1/20 0.40
HPGD P15428 1/20 0.39
GRM4 Q14833 2/20 0.38
NAMPT P43490 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
SCHEMBL23680626 0.88 GRM5 (0.46) GRM5LRRK2TDP1VNN1HPGD
SCHEMBL24929595 0.79 GRM5 (0.46) GRM5LRRK2HPGD
SCHEMBL24929599 0.77 GRM5 (0.50) GRM5LRRK2VNN1HPGD
SCHEMBL29565025 0.75 GRM5 (0.41) GRM5LRRK2VNN1HPGDGRM4
SCHEMBL29564740 0.75 GRM5 (0.48) GRM5LRRK2VNN1HPGD
SCHEMBL23675265 0.75 GRM5 (0.48) GRM5LRRK2VNN1HPGD
SCHEMBL23675258 0.75 GRM5 (0.41) GRM5LRRK2VNN1HPGDGRM4
SCHEMBL25259875 0.73 FASN (0.46) GRM5
SCHEMBL30589659 0.73 FASN (0.46) GRM5
SCHEMBL28883063 0.73 HPGD (0.50) HPGDNAMPT

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
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed