SCHEMBL2187477

SCHEMBL2187477

O=C(c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1)N(CCO)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
MGLL Q99685 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
HTR2B P41595 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
KDM5A P29375 1/20 0.36
MCHR1 Q99705 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
SCHEMBL2186266 0.94 HSD11B1 (0.43) HSD11B1MGLLGAAPOLBCACNA1B
SCHEMBL2188775 0.88 MGLL (0.53) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL13419197 0.84 MTTP (0.49) GAAPOLBMAPTL3MBTL1HCRTR1
SCHEMBL28768418 0.84 HSD11B1 (0.53) HSD11B1MGLLPOLBCACNA1BHCRTR1
SCHEMBL4294205 0.81 HSD11B1 (0.52) HSD11B1MGLLPOLBCACNA1BHCRTR1
SCHEMBL2187423 0.76 MGLL (0.41) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL3049583 0.76 HSD11B1 (0.52) HSD11B1MGLLPOLBCACNA1BHCRTR1
SCHEMBL2187198 0.76 HSD11B1 (0.44) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL2185794 0.76 HSD11B1 (0.39) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL5265670 0.75 HSD11B1 (0.43) HSD11B1MGLLHCRTR1HCRTR2MAPK8

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