SCHEMBL24138697

SCHEMBL24138697

NC(=S)C12CC3CC1CC(c1ccccc1)(C3)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 3/20 0.39
EPHX2 P34913 1/20 0.37
LMNA P02545 4/20 0.37
PGR P06401 2/20 0.36
MAPT P10636 1/20 0.34
GAA P10253 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
SCHEMBL24274110 1.00 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19173347 0.86 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24274129 0.86 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2162389 0.82 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24273772 0.82 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1397747 0.80 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24138706 0.78 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19173653 0.77 LMNA (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24274119 0.77 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24138743 0.75 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262426-A9 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2022-03-17 WO disclosed
WO-2021262426-A2 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2021-12-30 WO disclosed