SCHEMBL8218975

SCHEMBL8218975

N#Cc1ccnc(CON=C2CCN(Sc3ccccc3OC(F)(F)F)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
CRHR1 P34998 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
SCHEMBL4380897 0.81 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL4380261 0.74 MEN1 (0.42)
SCHEMBL4377008 0.73 CYP11B1 (0.39)
SCHEMBL4388899 0.70 PKM (0.37)
SCHEMBL8222754 0.70 GPR6 (0.40)
SCHEMBL4393773 0.70 HSD11B1 (0.44)
SCHEMBL4384904 0.69 SCN9A (0.39)
SCHEMBL4388309 0.68 GAA (0.47)
SCHEMBL4384743 0.68 SCN9A (0.39)
SCHEMBL4386017 0.67 KDM4E (0.39)

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
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed