SCHEMBL20002565

SCHEMBL20002565

O=C(N1CCC[C@@H](CO)C1)N1CC[C@@](Sc2ccc(F)cc2)(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.72

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
SCHEMBL16886609 0.84 RORC (1.00) RORC
SCHEMBL16886607 0.84 RORC (1.00) RORC
SCHEMBL20003184 0.81 RORC (0.72) RORC
SCHEMBL20002487 0.79 RORC (0.67) RORC
SCHEMBL20002865 0.78 RORC (0.60) RORC
SCHEMBL20002428 0.77 RORC (0.69) RORC
SCHEMBL20002506 0.77 RORC (0.72) RORC
SCHEMBL20003004 0.77 RORC (0.58) RORC
SCHEMBL20002826 0.76 RORC (0.69) RORC
SCHEMBL20002405 0.76 RORC (0.69) 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