SCHEMBL18896644

SCHEMBL18896644

O=C(O)C1CCN(c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cccc(F)c23)C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 1.00

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
SCHEMBL15592176 1.00 RORC (1.00) RORC
SCHEMBL15592015 1.00 RORC (1.00) RORC
SCHEMBL15592016 1.00 RORC (1.00) RORC
SCHEMBL15569305 1.00 RORC (1.00) RORC
SCHEMBL15568539 1.00 RORC (1.00) RORC
SCHEMBL15569030 0.92 RORC (1.00) RORC
SCHEMBL18896631 0.92 RORC (1.00) RORC
SCHEMBL15566506 0.92 RORC (1.00) RORC
SCHEMBL15592181 0.92 RORC (1.00) RORC
SCHEMBL15592169 0.92 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663522-B2 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed