SCHEMBL15570679

SCHEMBL15570679

CN(C)C(=O)c1ccc2c(C3=CC[C@@H](C(=O)O)CC3)nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 18/20 0.69
PPARG P37231 1/20 0.53

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
SCHEMBL15569368 1.00 RORC (0.69) RORCPPARG
SCHEMBL15571125 0.94 RORC (0.68) RORCPPARG
SCHEMBL15569999 0.93 RORC (0.66) RORCPPARG
SCHEMBL16875888 0.92 RORC (0.65) RORCPPARG
SCHEMBL15570109 0.92 RORC (0.59) RORC
SCHEMBL16875884 0.91 RORC (0.64) RORCPPARG
SCHEMBL15571127 0.91 RORC (0.66) RORCPPARG
SCHEMBL15570707 0.91 RORC (0.63) RORCPPARG
SCHEMBL16875889 0.89 RORC (0.62) RORCPPARG
SCHEMBL16884647 0.89 RORC (0.58) 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-2884976-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028597-A2 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed