SCHEMBL21677155

SCHEMBL21677155

NC(CF)(CCO)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.39
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
KIF11 P52732 2/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18683297 1.00 KCNN4 (0.39) KCNN4KCNE1KCNQ1KIF11CTNNB1
SCHEMBL18683037 0.78 USP28 (0.34)
SCHEMBL20005896 0.78 KCNN4 (0.39) KCNN4KCNE1KCNQ1KIF11CTNNB1
SCHEMBL12077605 0.78 KCNN4 (0.39) KCNN4KCNE1KCNQ1KIF11CTNNB1
SCHEMBL21677293 0.75 KCNN4 (0.47) KCNN4KCNE1KCNQ1KIF11CTNNB1
SCHEMBL18683357 0.75 KCNN4 (0.47) KCNN4KCNE1KCNQ1KIF11CTNNB1
SCHEMBL28994163 0.75 KCNN4 (0.38) KCNN4KCNE1KCNQ1KIF11CTNNB1
SCHEMBL15480889 0.74 KCNN4 (0.42) KCNN4KCNE1KCNQ1KIF11CTNNB1
SCHEMBL15142455 0.73 KCNN4 (0.35) KCNN4KCNE1KCNQ1KIF11
SCHEMBL14165902 0.71 KCNN4 (0.37) KCNN4KCNE1KCNQ1KIF11CTNNB1

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-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed