SCHEMBL7983365

SCHEMBL7983365

O=C(O)CC(=O)C12CCN(CC1)C2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 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
SCHEMBL7987336 0.87 LDHA (0.35) LDHASRR
SCHEMBL7985447 0.79 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL2822867 0.76 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL8558036 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL9585273 0.75 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
Bromide SCHEMBL8557420 0.75 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL2556850 0.75 CHRM2 (0.37) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL4198612 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL14351404 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7495564 0.71 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3

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
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO claimed
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO disclosed