SCHEMBL25845852

SCHEMBL25845852

CC(C)N1CC(Oc2ccccc2)CC1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
SLC6A4 P31645 3/20 0.40
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 6/20 0.38
PDE9A O76083 2/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL25839756 0.83 CHRNB2 (0.45) HRH3PDE9AGRIN1GRIN2BCHRNB4
SCHEMBL14591895 0.83 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4HRH1HRH3
SCHEMBL26211415 0.79 HRH3 (0.47) SLC6A2SLC6A3HRH3GRIN1GRIN2B
SCHEMBL26211426 0.79 HRH3 (0.47) SLC6A2SLC6A3HRH3GRIN1GRIN2B
SCHEMBL12384356 0.78 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4HRH1GRIN1
SCHEMBL12327264 0.78 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HRH1GRIN1
SCHEMBL14569610 0.78 HRH3 (0.46) SLC6A2SLC6A3HRH3GRIN1GRIN2B
SCHEMBL25845855 0.78 HCRTR1 (0.42) HRH3PDE9ANAAA
SCHEMBL26724725 0.78 HRH3 (0.46) SLC6A2SLC6A3HRH3GRIN1GRIN2B
SCHEMBL26724724 0.78 HRH3 (0.46) SLC6A2SLC6A3HRH3GRIN1GRIN2B

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-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed