SCHEMBL2187632

SCHEMBL2187632

N#CNC(=N)NC(=O)c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.45
HCRTR2 O43614 5/20 0.45
HSD11B1 P28845 1/20 0.45
MGLL Q99685 2/20 0.44
PPARG P37231 1/20 0.39
KDM5A P29375 1/20 0.39
CACNA1B Q00975 2/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CSNK1E P49674 3/20 0.36
CSNK1D P48730 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
CSNK1G3 Q9Y6M4 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
SCHEMBL2187577 0.84 CSNK1E (0.47) HCRTR1HCRTR2HSD11B1MGLLKDM5A
SCHEMBL2187636 0.83 HSD11B1 (0.45) HCRTR1HCRTR2HSD11B1MGLLKDM5A
SCHEMBL28768418 0.82 HSD11B1 (0.53) HCRTR1HCRTR2HSD11B1MGLLKDM5A
SCHEMBL4294205 0.81 HSD11B1 (0.52) HCRTR1HCRTR2HSD11B1MGLLKDM5A
SCHEMBL2187003 0.79 CSNK1E (0.54) HCRTR1HCRTR2HSD11B1MGLLCSNK1E
SCHEMBL3049583 0.78 HSD11B1 (0.52) HCRTR1HCRTR2HSD11B1MGLLCACNA1B
SCHEMBL2187368 0.77 MGLL (0.43) HCRTR1HCRTR2HSD11B1MGLLPPARG
SCHEMBL2187132 0.76 CSNK1E (0.54) HCRTR1HCRTR2HSD11B1MGLLPPARG
SCHEMBL2189193 0.75 CSNK1E (0.45) HCRTR1HCRTR2HSD11B1MGLLPPARG
SCHEMBL2187423 0.75 MGLL (0.41) HCRTR1HCRTR2HSD11B1MGLLPPARG

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-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed