SCHEMBL2855874

SCHEMBL2855874

CN(c1nccs1)C1CCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
NR3C1 P04150 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FFAR2 O15552 1/20 0.31
MAPT P10636 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
SCHEMBL2857909 0.79 CCR2 (0.32) FFAR2
SCHEMBL2855919 0.72 NPC1 (0.46) NPC1NR3C1KDM4EMAPT
SCHEMBL25282262 0.69 HRH3 (0.39)
SCHEMBL13326823 0.65 GPR119 (0.53) GPR119
SCHEMBL972277 0.65 GPR119 (0.53) GPR119
SCHEMBL27868446 0.65 RIPK1 (0.38) HPGDHSD17B10
SCHEMBL1189042 0.65 HSD17B10 (0.36) HSD17B10
SCHEMBL4102370 0.64 RBP4 (0.38) KDM4EGPR119
SCHEMBL8242255 0.64 L3MBTL3 (0.50)
SCHEMBL1437949 0.64 NR3C1 (0.39) NPC1NR3C1HPGDHSD17B10FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed