SCHEMBL16655877

SCHEMBL16655877

COc1nc2ccc(C(O)(C3CCN3C(=O)O)C3CCN3C(=O)O)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.61

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
SCHEMBL16639551 0.82 RORC (0.81) RORC
SCHEMBL21518210 0.82 RORC (0.53) RORC
SCHEMBL16633155 0.80 RORC (0.71) RORC
SCHEMBL16632515 0.80 RORC (0.58) RORC
SCHEMBL16633131 0.80 RORC (0.85) RORC
SCHEMBL16633159 0.79 RORC (0.72) RORC
SCHEMBL16632681 0.79 RORC (0.78) RORC
SCHEMBL19327641 0.78 RORC (0.90) RORC
SCHEMBL16460369 0.78 RORC (0.57) RORC
SCHEMBL15648101 0.78 RORC (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed