SCHEMBL20149031

SCHEMBL20149031

CC(=O)N1CCC(C(=O)N2CC(c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)C(C)(c3ccc(F)cc3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 1.00
NR1I2 O75469 9/20 1.00
NR1H2 P55055 1/20 0.79
NR1H3 Q13133 1/20 0.79

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
SCHEMBL20149245 1.00 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713053 0.92 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713035 0.92 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713082 0.92 RORC (1.00) RORCNR1I2
SCHEMBL23713039 0.92 RORC (1.00) RORCNR1I2
SCHEMBL23713094 0.92 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713084 0.91 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713090 0.90 RORC (1.00) RORCNR1I2NR1H2NR1H3
SCHEMBL23713026 0.90 RORC (0.85) RORCNR1I2NR1H2NR1H3
SCHEMBL23713038 0.90 RORC (0.82) RORCNR1I2

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