SCHEMBL9782191

SCHEMBL9782191

CCOCCOc1ccc(CCNCC(O)c2cccc(Cl)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.49
ADRB1 P08588 9/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 6/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL10430916 0.87 ADRB3 (0.47) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL9782152 0.84 ADRB3 (0.54) ADRB3ADRB1SMN1; SMN2KDM4EGAA
SCHEMBL9782217 0.83 ADRB2 (0.53) ADRB3ADRB1ADRB2
SCHEMBL9782208 0.82 ADRB3 (0.47) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL9782603 0.82 CYP51A1 (0.37) ADRB3MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL9782384 0.81 SLC2A1 (0.39) ADRB3ADRB1MEN1KMT2ASMN1; SMN2
SCHEMBL9813905 0.80 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL9813897 0.80 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL9782133 0.80 KCNH2 (0.38) ADRB3MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9782116 0.79 ADRB2 (0.46) ADRB3ADRB1SMN1; SMN2ADRB2

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