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SCHEMBL1407083

SCHEMBL1407083

CC(C(=O)O)[C@H]1CCCN(c2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 13/20 0.45
▸ NR1H3 Q13133 13/20 0.45
▸ NR1I2 O75469 2/20 0.44
▸ NR3C1 P04150 2/20 0.44
▸ AR P10275 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ CASR P41180 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ TRPA1 O75762 3/20 0.32
▸ RORC P51449 2/20 0.32

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
SCHEMBL1415167 1.00 NR1H2 (0.45) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407765 0.91 NR1H2 (0.51) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407858 0.90 NR1H2 (0.47) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407085 0.87 NR1H2 (0.62) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407772 0.87 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407329 0.87 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407372 0.86 NR1H2 (0.50) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407439 0.85 NR1H2 (0.51) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407392 0.85 NR1H2 (0.47) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407436 0.85 NR1H2 (0.47) 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