SCHEMBL9541336

SCHEMBL9541336

CCC=CC(=O)N(C)OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
APP P05067 1/20 0.33
OXER1 Q8TDS5 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL12619157 1.00 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4APP
SCHEMBL10150427 0.88 PPARA (0.41) CHRNB2CHRNB4CHRNA3CHRNA4OXER1
SCHEMBL27875752 0.79
SCHEMBL4808526 0.78
SCHEMBL4808522 0.78
SCHEMBL19900474 0.77 PPARG (0.47)
SCHEMBL10150448 0.75 LMNA (0.39) CHRNB2CHRNB4CHRNA3CHRNA4APP
SCHEMBL10186720 0.75 CA1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4APP
SCHEMBL12143891 0.75 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA4APP
SCHEMBL869529 0.75 LMNA (0.39) CHRNB2CHRNB4CHRNA3CHRNA4APP

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
WO-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed