SCHEMBL8440481

SCHEMBL8440481

CC(C)(C)OC(=O)N1CCC[C@H]1CSOc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB3 Q05901 2/20 0.45
CHRNA1 P02708 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
OPRD1 P41143 1/20 0.41
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
LMNA P02545 1/20 0.39
UCHL1 P09936 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL4143381 0.84 CHRNB2 (0.62) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7418188 0.84 CHRNB2 (0.62) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7838155 0.84 CHRNB2 (0.62) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL8434692 0.83 CHRNB2 (0.52) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6613800 0.82 CHEK2 (0.52) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7467867 0.79 FKBP1A (0.52) GPR119
Hydrochloric Acid SCHEMBL8437382 0.78 CHRNB4 (0.64) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7406714 0.78 CHRNA7 (0.55) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL5849231 0.76 GPR119 (0.44) GPR119OPRD1MEN1KMT2AALOX5AP
SCHEMBL30731233 0.75 GPR119 (0.51) CHRNB2CHRNA7CHRNA4GPR119KMT2A

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
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed
US-5914328-A CONTROL DOPAMINE RELEASE, ACTIVATE CHOLINERGIC CHANNELS ABBOTT LABORATORIES (US) 1999-06-22 US disclosed