SCHEMBL7895248

SCHEMBL7895248

CCCSc1ccc([C@H](NC(=O)OC(C)(C)C)C23CCC(CC2)C(=O)N3C)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
SLC6A9 P48067 2/20 0.32
HRH2 P25021 2/20 0.31
HRH1 P35367 2/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL7896254 1.00 SCN9A (0.34) SCN9AL3MBTL1SDCBPSDC2SLC6A9
SCHEMBL7895005 0.89 SCN9A (0.34) SCN9ASLC6A9
SCHEMBL3705108 0.87 SLC6A9 (0.38) L3MBTL1SLC6A9
SCHEMBL7886491 0.83 SLC6A9 (0.39) SCN9ASLC6A9TSHRALDH1A1KMT2A
SCHEMBL7894997 0.80 SLC6A9 (0.49) SCN9ASLC6A9TSHRALDH1A1KMT2A
SCHEMBL7899349 0.80
SCHEMBL7899351 0.80
SCHEMBL3785018 0.80
SCHEMBL7899357 0.70 MAPT (0.43) SCN9ASLC6A9ALDH1A1
SCHEMBL3711027 0.69 SLC6A9 (0.44) SLC6A9KMT2A

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-2010087761-A1 2-AZA-BICYCLO[2.2.2]OCTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 WO disclosed