SCHEMBL6196335

SCHEMBL6196335

CC(C)(C)OC(=O)ON1[C@H](CCc2ccsc2)COC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
NAAA Q02083 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD11B1 P28845 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL6494472 0.83 SPHK1 (0.39) CTSSCTSKTP53LMNACNR1
SCHEMBL6194742 0.76 GRM2 (0.37) CNR1CNR2GRM2GRM3NAAA
SCHEMBL6196321 0.76 GRM2 (0.37) CNR1CNR2GRM2GRM3NAAA
SCHEMBL6493631 0.76 GRM2 (0.38) CTSSCTSKCNR1CNR2GRM2
SCHEMBL8818712 0.70 ALDH1A1 (0.36) CYP2C9CYP2C19
SCHEMBL10582156 0.68 SPHK1 (0.36)
SCHEMBL14338696 0.68 SPHK1 (0.42)
SCHEMBL14350826 0.68 SPHK1 (0.42)
SCHEMBL6924329 0.68 SPHK1 (0.42)
SCHEMBL7686350 0.67 SPHK1 (0.41)

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
EP-1446402-B1 2-AMINO-4-HETEROARYLETHYL THIAZOLINE DERIVATIVES AND THEIR USE AN INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA SA (FR) 2005-11-02 EP claimed