SCHEMBL15567159

SCHEMBL15567159

O=C(c1c(Cl)cccc1C(F)(F)F)n1nc(N2C[CH]C2)c2ncccc21

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.75
PPARG P37231 1/20 0.58

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
SCHEMBL15567318 0.86 RORC (1.00) RORC
SCHEMBL15568392 0.85 RORC (1.00) RORCPPARG
SCHEMBL15567534 0.85 RORC (1.00) RORCPPARG
SCHEMBL15570140 0.84 RORC (1.00) RORCPPARG
SCHEMBL15568789 0.84 RORC (1.00) RORCPPARG
SCHEMBL15570138 0.84 RORC (0.72) RORCPPARG
SCHEMBL12683711 0.82 RORC (0.64) RORCPPARG
SCHEMBL15570546 0.82 RORC (0.71) RORCPPARG
SCHEMBL16968523 0.81 RORC (1.00) RORC
SCHEMBL15567701 0.81 RORC (1.00) RORCPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920149-B1 3-AMINOCYCLOALKYL COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2019-03-20 EP claimed
WO-2014026330-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO claimed
EP-2920149-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014026330-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed