SCHEMBL2186266

SCHEMBL2186266

O=C(c1csc(C2CCN(C(=O)c3ccccc3OC(F)(F)F)CC2)n1)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
MGLL Q99685 2/20 0.42
CACNA1B Q00975 2/20 0.40
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
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2B P41595 1/20 0.36
POLB P06746 1/20 0.36
UBE2M P61081 1/20 0.36

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
SCHEMBL2187477 0.94 HSD11B1 (0.43) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL2188775 0.88 MGLL (0.53) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL28768418 0.84 HSD11B1 (0.53) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL4294205 0.81 HSD11B1 (0.52) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL13419197 0.78 MTTP (0.49) HCRTR1HCRTR2CYP2C9CYP2C19MAPK14
SCHEMBL2187423 0.76 MGLL (0.41) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL3049583 0.76 HSD11B1 (0.52) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL2187198 0.76 HSD11B1 (0.44) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL2185794 0.76 HSD11B1 (0.39) HSD11B1MGLLCACNA1BHCRTR1HCRTR2
SCHEMBL2187632 0.75 HCRTR1 (0.45) HSD11B1MGLLCACNA1BHCRTR1HCRTR2

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