SCHEMBL20140241

SCHEMBL20140241

C[C@@]1(c2ccccc2)CNC[C@@H]1c1ccc(C(OC(=O)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.66
NR1I2 O75469 4/20 0.66

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
SCHEMBL20142132 1.00 RORC (0.66) RORCNR1I2
SCHEMBL20140497 0.91 RORC (0.53) RORCNR1I2
Trifluoroacetic Acid SCHEMBL20142131 0.82 RORC (0.89) RORCNR1I2
Trifluoroacetic Acid SCHEMBL20140240 0.82 RORC (0.89) RORCNR1I2
SCHEMBL23713118 0.80 RORC (1.00) RORCNR1I2
SCHEMBL20148961 0.80 RORC (1.00) RORCNR1I2
Hydrochloric Acid SCHEMBL23683591 0.79 RORC (0.98) RORCNR1I2
SCHEMBL23683599 0.77 RORC (0.60) RORCNR1I2
SCHEMBL20140447 0.77 RORC (0.60) RORCNR1I2
Hydrochloric Acid SCHEMBL23683604 0.76 RORC (0.59) RORCNR1I2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538522-A1 ROR GAMMA MODULATORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
WO-2018089406-A1 ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed