SCHEMBL20002899

SCHEMBL20002899

CC1(C(F)(F)F)CCN(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.44
NR1I2 O75469 1/20 0.41

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
SCHEMBL20002526 0.88 RORC (0.53) RORCNR1I2
SCHEMBL20002346 0.88 RORC (0.50) RORC
SCHEMBL20003003 0.84 EPHX2 (0.45) RORC
SCHEMBL20003053 0.82 CCR5 (0.46) RORCNR1I2
SCHEMBL20002221 0.82 RORC (0.45) RORC
SCHEMBL20002321 0.82 CCR5 (0.46) RORCNR1I2
SCHEMBL20003007 0.81 RORC (0.44) RORC
SCHEMBL20002563 0.81 EPHX2 (0.45)
SCHEMBL20003031 0.80 EPHX2 (0.44) RORC
SCHEMBL20003035 0.80 HTR2A (0.44) RORC

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