SCHEMBL21940805

SCHEMBL21940805

Cc1cc(CN)nnc1N1CCOC(C(F)(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.39
FFAR2 O15552 18/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL21940812 0.82 FFAR2 (0.38) ELOVL1FFAR2
SCHEMBL21940807 0.79 LRRK2 (0.44)
SCHEMBL21941078 0.79 KDM4E (0.38) ELOVL1FFAR2AR
SCHEMBL21940286 0.71 ALDH1A1 (0.42)
SCHEMBL21941083 0.71 PDE10A (0.36)
SCHEMBL23327686 0.70 AR (0.43) ELOVL1FFAR2AR
SCHEMBL30912115 0.70 AR (0.43) ELOVL1FFAR2AR
SCHEMBL21940300 0.69 PIM1 (0.31)
SCHEMBL21940600 0.69 LRRK2 (0.41) FFAR2
SCHEMBL21941081 0.68 AKT1 (0.32)

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
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 EP disclosed