SCHEMBL20142353

SCHEMBL20142353

COC(=O)[C@@]1(c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.57
OPRK1 P41145 1/20 0.41
USP30 Q70CQ3 1/20 0.40
ROCK2 O75116 1/20 0.38

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
SCHEMBL20140390 1.00 RORC (0.57) RORCOPRK1USP30ROCK2
SCHEMBL20139749 0.90 RORC (0.62) RORCUSP30
SCHEMBL20139748 0.90 RORC (0.62) RORCUSP30
SCHEMBL20140441 0.84 RORC (0.80) RORC
SCHEMBL20139603 0.84 RORC (0.80) RORC
SCHEMBL23683608 0.81 RORC (0.58) RORCUSP30
SCHEMBL20139710 0.81 RORC (0.58) RORCUSP30
SCHEMBL20139636 0.75 RORC (0.58) RORC
SCHEMBL23683600 0.75 RORC (0.58) RORC
SCHEMBL20139612 0.75 RORC (0.46) RORCUSP30

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