SCHEMBL7409187

SCHEMBL7409187

CC(=O)Nc1cc(OC(C)[C@H]2CCN2)cnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.36
RORC P51449 1/20 0.35
ACACB O00763 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ABL1 P00519 1/20 0.32

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
SCHEMBL7413844 0.86 ACACB (0.35) GHSRRORCACACBABL1
SCHEMBL8554626 0.79 IRAK4 (0.39)
SCHEMBL7412888 0.79 CHRNB2 (0.49)
SCHEMBL7412785 0.79 CHRNB2 (0.49)
Hydrochloric Acid SCHEMBL7417419 0.78 IRAK4 (0.39)
Hydrochloric Acid SCHEMBL7413921 0.78 CHRNB2 (0.40)
SCHEMBL7414891 0.77 CHRNB2 (0.40)
SCHEMBL8554428 0.76 CHRNA3 (0.34)
SCHEMBL8507798 0.75 VNN1 (0.31)
SCHEMBL7408464 0.74 CHRNA3 (0.52)

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