SCHEMBL20002749

SCHEMBL20002749

CC(OC(C)(C(F)(F)F)C(F)(F)F)c1c(F)cccc1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN8A Q9UQD0 2/20 0.34
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL16886256 0.82 SCN1A (0.31) SCN1ASCN5ASCN8A
SCHEMBL20003207 0.80 RORC (0.31) CES2CES1
SCHEMBL20002096 0.73 RIPK1 (0.37) SCN5A
SCHEMBL16892295 0.71 CES2 (0.36) SCN1ASCN5ASCN8ACES2CES1
SCHEMBL20002022 0.68 KMT2A (0.33)
SCHEMBL807556 0.65 CES2 (0.41) CES2CES1
SCHEMBL16884652 0.64 CA2 (0.43) CES2CES1
SCHEMBL1604902 0.64 ALDH1A1 (0.38) SCN1ASCN5ASCN8ACES2CES1
SCHEMBL28022516 0.64 CES2 (0.43) CES2CES1
SCHEMBL18799682 0.64 RORC (0.40)

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