SCHEMBL9495273

SCHEMBL9495273

CNC(=O)OC1CCC1OC(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.55
BCHE P06276 4/20 0.44
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MC4R P32245 1/20 0.35
EPHX1 P07099 5/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRNB2 P17787 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
APEX1 P27695 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
SCHEMBL28377962 0.81 CHRM1 (0.45) CHRM1BCHEEPHX1
SCHEMBL10810342 0.79 EPHX1 (0.47) CHRM1BCHESMN1; SMN2EPHX1
SCHEMBL103736 0.79
SCHEMBL19571000 0.78 CHRM1 (0.50) CHRM1BCHELMNASMN1; SMN2EPHX1
SCHEMBL21828117 0.78 CHRM1 (0.46) CHRM1BCHEEPHX1
SCHEMBL19571012 0.78 CHRM1 (0.50) CHRM1BCHELMNASMN1; SMN2EPHX1
SCHEMBL19571009 0.78 CHRM1 (0.50) CHRM1BCHELMNASMN1; SMN2EPHX1
SCHEMBL19570999 0.78 CHRM1 (0.50) CHRM1BCHELMNASMN1; SMN2EPHX1
SCHEMBL19571013 0.78 CHRM1 (0.50) CHRM1BCHELMNASMN1; SMN2EPHX1
Hydrochloric Acid SCHEMBL28974203 0.77

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
EP-0324154-B1 1,2 BIS(AMINOMETHYL)CYCLOBUTANE-PLATINUM-COMPLEXES ASTA Medica Aktiengesellschaft (DE) 1993-03-17 EP disclosed