SCHEMBL9239198

SCHEMBL9239198

CC(C)(C)OC(=O)N1CCC1COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.60
CHRNA3 P32297 6/20 0.60
CHRNB2 P17787 4/20 0.57
CHRNA4 P43681 3/20 0.57
FAAH O00519 4/20 0.52
CHRNB1 P11230 1/20 0.48
CHRNB3 Q05901 1/20 0.48
GHSR Q92847 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9239190 1.00 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4FAAH
SCHEMBL9242426 0.94 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4FAAH
SCHEMBL4476967 0.94 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4FAAH
SCHEMBL4476971 0.94 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4FAAH
SCHEMBL7483954 0.84 CHRNA3 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL26378415 0.83 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4FAAH
SCHEMBL6184282 0.81 CHRNB4 (0.48) CHRNB4CHRNA3
SCHEMBL6191591 0.81 CHRNB4 (0.48) CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7460326 0.80 CHRNA3 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL25594927 0.80 CHRNB4 (0.51) CHRNB4CHRNA3FAAH

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
US-5472958-A 2-((nitro)phenoxymethyl) heterocyclic compounds that enhance cognitive function ABBOTT LABORATORIES (US) 1995-12-05 US disclosed