SCHEMBL25816545

SCHEMBL25816545

CCC1(CC)CC(Nc2ccccc2C)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
P2RX7 Q99572 2/20 0.39
SIGMAR1 Q99720 3/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL25816391 0.77 MEN1 (0.51) MAPTP2RX7L3MBTL1LMNATSHR
SCHEMBL5202907 0.75 MAPT (0.47) MAPTHTTP2RX7SIGMAR1GRIN2D
SCHEMBL21392344 0.72 KDM4E (0.58) MAPTP2RX7SIGMAR1GRIN2DGRIN3B
SCHEMBL23016004 0.71 GAA (0.61) MAPTP2RX7SIGMAR1GRIN2DGRIN3B
SCHEMBL11990469 0.71 SLC6A2 (0.42) MAPTHTTRAB9ANPC1ALDH1A1
SCHEMBL7634561 0.71 GAA (0.61) MAPTP2RX7SIGMAR1GRIN2DGRIN3B
SCHEMBL2087914 0.68 MAPT (0.41) MAPTHTTP2RX7SIGMAR1GRIN2D
SCHEMBL13246644 0.68 MAPK1 (0.46) MAPTHTTRAB9ANPC1HPGD
SCHEMBL82901 0.68 BRD4 (0.54) MAPTHPGD
SCHEMBL20012240 0.67 MAPT (0.38) MAPTHTTP2RX7SIGMAR1L3MBTL1

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-2023130043-A1 MONOACYLGLYCEROL LIPASE INHIBITORS AND USE THEREOF FOR THE TREATMENT OF ANXIETY PSY THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed