SCHEMBL20002950

SCHEMBL20002950

CC(C)OC(=O)N1CCC(Sc2ccc(F)cc2)(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.65
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
NR1I2 O75469 2/20 0.46

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
SCHEMBL20002925 0.79 RORC (0.64) RORC
SCHEMBL16886445 0.79 RORC (1.00) RORCNR1H2NR1H3NR1I2
SCHEMBL20002126 0.79 RORC (0.62) RORC
SCHEMBL20002949 0.76 RORC (0.65) RORCNR1H2NR1H3NR1I2
SCHEMBL20003201 0.75 RORC (0.66) RORCNR1H2NR1H3
SCHEMBL20002396 0.71 RORC (0.64) RORCNR1H2NR1H3NR1I2
SCHEMBL20002427 0.68 RORC (0.66) RORC
SCHEMBL16886442 0.67 RORC (1.00) RORCNR1H2NR1H3NR1I2
SCHEMBL16886447 0.67 RORC (1.00) RORCNR1H2NR1H3NR1I2
SCHEMBL20002337 0.67 RORC (0.67) RORCNR1H2NR1H3NR1I2

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