SCHEMBL20149126

SCHEMBL20149126

CC(=O)N1CCC(C(=O)N2C[C@H](c3ccccc3)[C@](C)(c3ccc(C(C)(C(F)(F)F)C(F)(F)F)cc3)C2)CC1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.83
NR1I2 O75469 10/20 0.77
NR1H2 P55055 1/20 0.55
NR1H3 Q13133 1/20 0.55

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
SCHEMBL23713035 0.91 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713039 0.87 RORC (1.00) RORCNR1I2
SCHEMBL23713082 0.87 RORC (1.00) RORCNR1I2
SCHEMBL23713094 0.83 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL20149245 0.83 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL20149031 0.83 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL20149129 0.80 RORC (0.80) RORCNR1I2
SCHEMBL23713148 0.79 RORC (1.00) RORCNR1I2
SCHEMBL23713003 0.79 RORC (1.00) RORCNR1I2
SCHEMBL23713009 0.75 RORC (1.00) RORCNR1I2NR1H2NR1H3

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-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed