SCHEMBL7985447

SCHEMBL7985447

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7971882 0.82 MGAM (0.38) MGAMGAASIMGAM2TSHR
SCHEMBL7983365 0.79 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3318136 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3
Bromide SCHEMBL8557420 0.75 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7367363 0.72 TP53 (0.35) CHRM2CHRM4CHRM1CHRM3MGAM
Oxalic Acid SCHEMBL9051874 0.72 CHRM1 (0.41) CHRM2CHRM4CHRM1CHRM3HSD17B10
Bromide SCHEMBL8556654 0.71 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL8558036 0.71 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL9585273 0.71 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3
SCHEMBL9048771 0.70 CHRM2 (0.43) 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 1 patent. 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 disclosed