SCHEMBL30165225

SCHEMBL30165225

CSc1nc(OC(C(N)=O)C23CC4CC(CC(C4)C2)C3)cc(N2CC(F)(F)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.33
CNR2 P34972 1/20 0.30
EPHX1 P07099 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL30165226 0.84 ALDH1A1 (0.35) CNR2EPHX1NPC1ALDH1A1
SCHEMBL30165269 0.82 EPHX1 (0.31) EPHX1NPC1ALDH1A1
SCHEMBL30165308 0.82 EPHX1 (0.31) EPHX1NPC1ALDH1A1
SCHEMBL30165252 0.81 PTGES (0.34) CNR2EPHX1NPC1ALDH1A1
SCHEMBL30165343 0.81 ADORA3 (0.37) CNR2EPHX1NPC1ALDH1A1
SCHEMBL29686867 0.80 ADORA3 (0.38) CNR2EPHX1NPC1ALDH1A1
SCHEMBL30165265 0.79 ALDH1A1 (0.32) EPHX1NPC1ALDH1A1
SCHEMBL30165322 0.79 EPHX1 (0.30) EPHX1NPC1ALDH1A1
SCHEMBL30165214 0.79 ADORA3 (0.31) EPHX1NPC1ALDH1A1
SCHEMBL30165275 0.77

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-4125845-A1 NOVEL 2-PYRIMIDONE ANALOGS AS POTENT ANTIVIRAL AGENTS AGAINST ALPHAVIRUSES Southern Research Institute (US) 2023-02-08 EP disclosed