SCHEMBL20002339

SCHEMBL20002339

C=Cc1cc(SC2(c3ccc(C(OCc4c(F)cccc4F)(C(F)(F)F)C(F)(F)F)cc3)CCN(Cc3ccccc3)C2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.54

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
SCHEMBL20002919 0.89 RORC (0.56) RORC
SCHEMBL20002789 0.88 RORC (0.67) RORC
SCHEMBL16875482 0.81 RORC (0.78) RORC
SCHEMBL20003023 0.80 RORC (0.64) RORC
SCHEMBL20002928 0.80 RORC (0.67) RORC
SCHEMBL20002487 0.72 RORC (0.67) RORC
SCHEMBL16875426 0.71 RORC (0.81) RORC
SCHEMBL20002810 0.70 RORC (0.61) RORC
SCHEMBL16875165 0.70 RORC (1.00) RORC
SCHEMBL20002997 0.70 RORC (0.67) 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