SCHEMBL20003201

SCHEMBL20003201

CC(C)(C)OC(=O)N1CC[C@@](Sc2ccc(F)cc2)(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.66
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HDAC2 Q92769 1/20 0.40

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
SCHEMBL16875344 0.80 RORC (1.00) RORCNR1H2NR1H3
SCHEMBL16875346 0.80 RORC (1.00) RORCNR1H2NR1H3
SCHEMBL20002925 0.79 RORC (0.64) RORC
SCHEMBL20002950 0.75 RORC (0.65) RORCNR1H2NR1H3
SCHEMBL31004988 0.75 HDAC2 (0.49) RORCHDAC2
SCHEMBL20002797 0.75 RORC (0.64) RORC
SCHEMBL16875140 0.71 RORC (0.85) RORC
SCHEMBL16875143 0.71 RORC (0.85) RORC
SCHEMBL20002126 0.71 RORC (0.62) RORC
SCHEMBL16886841 0.70 RORC (0.86) RORCNR1H2NR1H3

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-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed