SCHEMBL2857945

SCHEMBL2857945

CN(c1ncc(F)s1)C1CCN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.42
VNN1 O95497 7/20 0.37
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
CCR2 P41597 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
BTK Q06187 2/20 0.34
MCHR1 Q99705 1/20 0.34
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR2 O15552 1/20 0.33
UCHL1 P09936 1/20 0.33

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
SCHEMBL971258 0.84 USP30 (0.47) USP30JAK2JAK1
SCHEMBL972487 0.76 GRM5 (0.39) USP30JAK2MCHR1
SCHEMBL971890 0.76 JAK1 (0.41) USP30JAK1JAK3
SCHEMBL2857909 0.71 CCR2 (0.32) CCR2FFAR2
SCHEMBL23359981 0.71 MAP4K4 (0.44) VNN1MCHR1
SCHEMBL23359978 0.71 MAP4K4 (0.44) VNN1MCHR1
SCHEMBL975722 0.71 FFAR2 (0.32) USP30CCR2FFAR2
SCHEMBL23360210 0.70 TRPV1 (0.45) VNN1JAK2JAK1BTK
SCHEMBL23360208 0.70 TRPV1 (0.45) VNN1JAK2JAK1BTK
SCHEMBL23360354 0.70 TRPV1 (0.45) VNN1JAK2JAK1BTK

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