SCHEMBL9782152

SCHEMBL9782152

CCOCCOc1ccc(CCNCC(O)c2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 6/20 0.43
ADRB1 P08588 4/20 0.41
ALOX15 P16050 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9782208 0.84 ADRB3 (0.47) ADRB3SMN1; SMN2ADRB2ADRB1
SCHEMBL9782191 0.84 ADRB3 (0.49) ADRB3SMN1; SMN2KDM4EGAATDP1
Oxalic Acid SCHEMBL9787715 0.83 ADRB3 (0.49) ADRB3SMN1; SMN2KDM4EGAATDP1
SCHEMBL9782106 0.82 ADRB1 (0.49) ADRB3ADRB2ADRB1
SCHEMBL10430916 0.81 ADRB3 (0.47) ADRB3SMN1; SMN2ADRB2ADRB1DRD3
SCHEMBL9782146 0.81 ADRB1 (0.58) ADRB3ADRB2ADRB1
SCHEMBL9782091 0.80 THRA (0.40) ADRB3SMN1; SMN2KDM4EALDH1A1
SCHEMBL9782109 0.79 THRA (0.38) ADRB3SMN1; SMN2KDM4EALDH1A1
SCHEMBL9782267 0.79 ADRB2 (0.51) ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL9813897 0.77 ADRB3 (0.64) ADRB3ADRB2ADRB1

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
US-4988714-A Drugs for treatment of obesity and diabetics, increases protein breakdown, for fattening animals HOFFMANN-LA ROCHE INC. (US) 1991-01-29 US disclosed
US-4800206-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-01-24 US disclosed