SCHEMBL24928924

SCHEMBL24928924

N#Cc1ccc(-n2nnc3cc(C(=O)N4CCC(F)(F)CC4)cnc32)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
KCNH2 Q12809 1/20 0.41
RXRA P19793 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
NAMPT P43490 1/20 0.36
VNN1 O95497 1/20 0.36
ADORA2A P29274 2/20 0.35
FASN P49327 2/20 0.34
DDR1 Q08345 2/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL30361451 1.00 HPGD (0.52) HPGDNOS1NOS2KCNH2RXRA
SCHEMBL24929885 0.89 HPGD (0.51) HPGDADORA2AFASNDDR1
SCHEMBL30361470 0.87 HPGD (0.47) HPGDNOS1NOS2KCNH2RXRA
SCHEMBL24929303 0.87 HPGD (0.47) HPGDNOS1NOS2KCNH2RXRA
SCHEMBL30947683 0.84 HPGD (0.50) HPGDKCNH2RXRAVNN1ADORA2A
SCHEMBL24463691 0.83 HPGD (0.53) HPGDRXRAVNN1ADORA2ALRRK2
SCHEMBL30361471 0.82 HPGD (0.52) HPGDRXRAVNN1ADORA2ALRRK2
SCHEMBL24928925 0.82 HPGD (0.47) HPGDKCNH2RXRAVNN1ADORA2A
SCHEMBL30361427 0.82 HPGD (0.47) HPGDKCNH2RXRAVNN1ADORA2A
SCHEMBL24928921 0.81 RXRA (0.47) RXRAPDE4BPDE4D

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-2023009618-A1 BICYCLIC PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO, INC. (US) 2023-02-02 WO disclosed