SCHEMBL28075193

SCHEMBL28075193

C=C(CC(N)=O)C(=O)OCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRM3 P20309 1/20 0.46
CHRNA4 P43681 1/20 0.46
BCHE P06276 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.39
DNM1 Q05193 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 3/20 0.34
CYP2C19 P33261 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL11677847 0.84 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL8013679 0.82 CHRM2 (0.46) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL1733667 0.79 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL27545231 0.79 CHRM1 (0.50) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL28316152 0.79 CHRM1 (0.46) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL7163050 0.78 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL1275670 0.78 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL127031 0.78 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL13608467 0.77 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL25435705 0.76 THRB (0.47) CHRM1CHRM2CHRM4CHRM5CHRNB2

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
CN-102307722-B Method for controlling depolymerization of polymer compositions 罗地亚管理公司 2016-06-22 CN disclosed