SCHEMBL2449259

SCHEMBL2449259

CC1(C)OB(c2ccc(-c3c[nH]c([C@@]4(C(C)(C)C)CCCN4C(=O)O)n3)cc2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.34
LPL P06858 4/20 0.34
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
DGAT1 O75907 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
P4HB P07237 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
SCHEMBL1980791 0.83 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL1908293 0.82 LIPG (0.35) LIPGLPLF2F11PRSS1
SCHEMBL1908290 0.82 LIPG (0.35) LIPGLPLF2F11PRSS1
SCHEMBL18813762 0.79 LIPG (0.35) LIPGLPLDGAT1HCRTR1HCRTR2
SCHEMBL18813763 0.79 LIPG (0.35) LIPGLPLDGAT1HCRTR1HCRTR2
SCHEMBL16005083 0.78 DGAT1 (0.30) DGAT1
SCHEMBL934131 0.78 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL2193248 0.78 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL1914340 0.74 HCRTR1 (0.32) HCRTR1HCRTR2
SCHEMBL1984448 0.73 HCRTR1 (0.33) HCRTR1HCRTR2

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
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO disclosed