SCHEMBL20002235

SCHEMBL20002235

Fc1cccc(F)c1COC(c1ccc([C@H]2CCNC2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.48
NR1I2 O75469 1/20 0.46

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
SCHEMBL20148987 0.80 RORC (0.52) RORCNR1I2
SCHEMBL23713023 0.76 RORC (0.45) RORCNR1I2
SCHEMBL19388079 0.74 RORC (0.60) RORCNR1I2
SCHEMBL20140447 0.73 RORC (0.60) RORCNR1I2
SCHEMBL23683599 0.73 RORC (0.60) RORCNR1I2
SCHEMBL23713034 0.72 RORC (0.64) RORC
Hydrochloric Acid SCHEMBL23683604 0.72 RORC (0.59) RORCNR1I2
Hydrochloric Acid SCHEMBL23683606 0.72 RORC (0.59) RORCNR1I2
SCHEMBL1811550 0.70 HTR2C (0.79)
SCHEMBL16660400 0.70 HTR2C (0.79)

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