SCHEMBL1407765

SCHEMBL1407765

CC(C(=O)O)[C@H]1CCCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccc(F)cc3F)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.51
NR1H3 Q13133 13/20 0.51
NR1I2 O75469 2/20 0.51
NR3C1 P04150 2/20 0.51
AR P10275 1/20 0.51
RXRA P19793 1/20 0.51
KCNK3 O14649 3/20 0.35
CCR5 P51681 1/20 0.35
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
NAMPT P43490 1/20 0.34
MAPT P10636 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
SCHEMBL1407085 0.93 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1415167 0.91 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407083 0.91 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407737 0.87 NR1H2 (0.53) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407858 0.87 NR1H2 (0.47) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1414616 0.85 NR1H2 (0.56) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407419 0.80 NR1H2 (0.63) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1414445 0.79 NR1H2 (0.51) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27710174 0.78 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407772 0.78 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR

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-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed