SCHEMBL20002526

SCHEMBL20002526

O=C(N1CCC(O)(C(F)(F)F)CC1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.53
EPHX2 P34913 1/20 0.40
NR1I2 O75469 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
SCHEMBL20002899 0.88 RORC (0.44) RORCNR1I2
SCHEMBL20002346 0.86 RORC (0.50) RORCEPHX2
SCHEMBL20003003 0.85 EPHX2 (0.45) RORCEPHX2
SCHEMBL20003007 0.84 RORC (0.44) RORCEPHX2
SCHEMBL20002563 0.82 EPHX2 (0.45) EPHX2
SCHEMBL20003031 0.81 EPHX2 (0.44) RORCEPHX2
SCHEMBL20002221 0.80 RORC (0.45) RORCEPHX2
SCHEMBL20003053 0.80 CCR5 (0.46) RORCEPHX2NR1I2
SCHEMBL20002321 0.80 CCR5 (0.46) RORCEPHX2NR1I2
SCHEMBL20002459 0.80 RORC (0.51) RORCEPHX2

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