SCHEMBL4779449

SCHEMBL4779449

CNC(=O)O[C@@H]1CNC[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
BCHE P06276 4/20 0.37
MAN1B1 Q9UKM7 1/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
FUCA1 P04066 4/20 0.34
GBA1 P04062 4/20 0.34
GLA P06280 2/20 0.34
GAA P10253 1/20 0.34
GLB1 P16278 1/20 0.34

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
SCHEMBL28417988 1.00 CHRM1 (0.41) CHRM1BCHEMAN1B1CHRNB2CHRNA4
SCHEMBL19212123 0.79 CHRM1 (0.40) CHRM1BCHECHRNB2CHRNA4CHRNA7
SCHEMBL5231114 0.78 MAN1B1 (0.42) CHRM1MAN1B1FUCA1GBA1GLA
SCHEMBL5230075 0.78 MAN1B1 (0.42) CHRM1MAN1B1FUCA1GBA1GLA
SCHEMBL14655735 0.75 MAN1B1 (0.43) MAN1B1FUCA1GBA1GLAGAA
SCHEMBL4194315 0.75
SCHEMBL4128815 0.75 CHRM1 (0.37) CHRM1BCHECHRNB2CHRNA4CHRNA7
SCHEMBL4128819 0.75 CHRM1 (0.37) CHRM1BCHECHRNB2CHRNA4CHRNA7
SCHEMBL3714961 0.74 GBA1 (0.33) GBA1
SCHEMBL14690436 0.74 MAN1B1 (0.42) MAN1B1FUCA1GBA1GLAGAA

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-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed