SCHEMBL15599221

SCHEMBL15599221

Cc1cnc(OCC(C)(C)O)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.51
SSTR4 P31391 6/20 0.50
KCNJ5 P48544 2/20 0.45
KCNJ3 P48549 2/20 0.45
AAK1 Q2M2I8 5/20 0.39
NUDT1 P36639 1/20 0.37
SLC13A5 Q86YT5 3/20 0.35
SLC13A2 Q13183 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35

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
SCHEMBL12145015 0.85 KCNJ5 (0.42) PTGS2SSTR4KCNJ5KCNJ3AAK1
SCHEMBL15599218 0.83 SSTR4 (0.47) PTGS2SSTR4AAK1NUDT1
SCHEMBL13313012 0.83 PTGS2 (0.53) PTGS2SSTR4KCNJ5KCNJ3AAK1
SCHEMBL17428846 0.81 SSTR4 (0.45) PTGS2SSTR4AAK1
SCHEMBL17244894 0.80 PDE2A (0.43) PTGS2SSTR4KCNJ5KCNJ3AAK1
SCHEMBL24599916 0.79 SSTR4 (0.44) PTGS2SSTR4AAK1
SCHEMBL12037978 0.77 SLC13A5 (0.40) SSTR4SLC13A5
SCHEMBL15599341 0.76 SCN9A (0.44) SSTR4AAK1
SCHEMBL15599223 0.75 SCN9A (0.40) PTGS2SSTR4AAK1NUDT1
SCHEMBL22746004 0.75 SSTR4 (0.41) PTGS2SSTR4AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 WO disclosed