SCHEMBL15568614

SCHEMBL15568614

CC1[C@@H](C)[C@H](C(=O)O)CCN1c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.78

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
SCHEMBL15570136 0.88 RORC (1.00) RORC
SCHEMBL15569030 0.86 RORC (1.00) RORC
SCHEMBL15569931 0.86 RORC (1.00) RORC
SCHEMBL15592181 0.86 RORC (1.00) RORC
SCHEMBL15566506 0.86 RORC (1.00) RORC
SCHEMBL15592169 0.86 RORC (1.00) RORC
SCHEMBL18896631 0.86 RORC (1.00) RORC
SCHEMBL15569739 0.85 RORC (1.00) RORC
SCHEMBL15592015 0.83 RORC (1.00) RORC
SCHEMBL15568539 0.83 RORC (1.00) 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 3 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 disclosed
EP-2920149-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-09-23 EP disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed