SCHEMBL20002855

SCHEMBL20002855

O=C(O)C1CCC(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RORC P51449 14/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C8 P10632 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL20002498 0.93 RORC (0.49) MAPTRORCL3MBTL1HTR2AHTR2C
SCHEMBL20002731 0.84 L3MBTL1 (0.48) RORCL3MBTL1HTR2AHTR2CKCNH2
SCHEMBL20002381 0.84 L3MBTL1 (0.56) MAPTRORCL3MBTL1EPHX2
SCHEMBL20002434 0.84 L3MBTL1 (0.56) MAPTRORCL3MBTL1EPHX2
SCHEMBL20002714 0.83 RORC (0.51) MAPTRORCL3MBTL1HTR2AHTR2C
SCHEMBL20002459 0.83 RORC (0.51) MAPTRORCHTR2AHTR2CKCNH2
SCHEMBL20002743 0.82 L3MBTL1 (0.48) MAPTRORCL3MBTL1HTR2AHTR2C
SCHEMBL20002251 0.82 RORC (0.52) RORCL3MBTL1
SCHEMBL20003057 0.82 RORC (0.50) MAPTRORCL3MBTL1HTR2AHTR2C
SCHEMBL20002254 0.82 L3MBTL1 (0.48) RORCL3MBTL1HTR2AHTR2CKCNH2

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