SCHEMBL23057745

SCHEMBL23057745

CC1(C)OB(c2ccc(N)cc2OC(F)(F)F)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 3/20 0.33
CXCR2 P25025 1/20 0.32
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL29973522 1.00 LIPE (0.33) LIPECXCR2F2F11PRSS1
SCHEMBL18605166 0.88 LIPE (0.33) LIPECXCR2F2F11PRSS1
SCHEMBL14746407 0.82 LIPE (0.37) LIPECXCR2LPLLIPG
SCHEMBL1356708 0.81 MAPT (0.43) CA1CA2CA9
SCHEMBL29973992 0.81 MAPT (0.43) CA1CA2CA9
SCHEMBL25368001 0.81 SNCA (0.38) LIPECXCR2CA1CA2CA9
SCHEMBL15912491 0.80 LPL (0.38) LIPECXCR2F2F11PRSS1
SCHEMBL31713106 0.79 HRH4 (0.39) LIPECXCR2
SCHEMBL26617400 0.77 EGFR (0.31)
SCHEMBL29973507 0.77 GAA (0.46) F2F11PRSS1PRSS2PRSS3

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
WO-2021041970-A1 PERK INHIBITING IMIDAZOLOPYRAZINE COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO disclosed
WO-2021041973-A1 PERK INHIBITING COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO disclosed
WO-2021041975-A1 PERK INHIBITING PYRROLOPYRIMIDINE COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO disclosed