SCHEMBL7413844

SCHEMBL7413844

CC(=O)Nc1cc(OC(C)[C@H]2CCN2)cnc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.35
GHSR Q92847 6/20 0.33
ABL1 P00519 1/20 0.32
RORC P51449 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL7409187 0.86 GHSR (0.36) ACACBGHSRABL1RORC
SCHEMBL7415445 0.79
SCHEMBL7409993 0.79
SCHEMBL8553235 0.79 IRAK4 (0.39)
SCHEMBL8616694 0.77 CHRNB2 (0.32)
SCHEMBL8551464 0.77
SCHEMBL8553260 0.77
SCHEMBL8671400 0.77
SCHEMBL8552411 0.76 CHRNB2 (0.34)
SCHEMBL8551060 0.76 MEN1 (0.33)

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-1047690-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-11-02 EP claimed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO claimed