SCHEMBL8554797

SCHEMBL8554797

CC(Oc1cnc(F)c(C(N)=O)c1)[C@@H]1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 15/20 0.40
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35

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
SCHEMBL8553235 0.94 IRAK4 (0.39) IRAK4PARP10PARP15
SCHEMBL8552081 0.88 IRAK4 (0.41) IRAK4
SCHEMBL8554469 0.81 IRAK4 (0.40) IRAK4
SCHEMBL8552875 0.81 SLC6A2 (0.33)
SCHEMBL8554626 0.81 IRAK4 (0.39) IRAK4
SCHEMBL8556820 0.80 SLC6A2 (0.35)
Hydrochloric Acid SCHEMBL7417419 0.80 IRAK4 (0.39) IRAK4
SCHEMBL8554334 0.79 MEN1 (0.39) IRAK4
SCHEMBL8619125 0.78 SLC6A2 (0.34)
SCHEMBL8551354 0.78 CHRNB2 (0.39) IRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP claimed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO claimed