SCHEMBL8765782

SCHEMBL8765782

CCOC(=O)COc1ccc2c(c1)CC(N)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.55
ACHE P22303 2/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPY5R Q15761 1/20 0.46
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.43
HPGD P15428 3/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42

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
Hydrochloric Acid SCHEMBL8766863 0.95 ADRB3 (0.51) ADRB3ACHEPOLBALDH1A1HSD17B10
SCHEMBL8766821 0.95 ADRB3 (0.51) ADRB3ACHEPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8765612 0.94 ADRB3 (0.50) ADRB3ACHEPOLBALDH1A1HSD17B10
SCHEMBL9518883 0.93 ACHE (0.58) ADRB3ACHEPOLBALDH1A1HSD17B10
SCHEMBL5679478 0.93 ACHE (0.58) ADRB3ACHEPOLBALDH1A1HSD17B10
SCHEMBL5681817 0.93 ACHE (0.58) ADRB3ACHEPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL9443687 0.92 ACHE (0.57) ADRB3ACHEPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8765234 0.92 ACHE (0.57) ADRB3ACHEPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8765229 0.92 ACHE (0.57) ADRB3ACHEPOLBALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL8765354 0.87 GAA (0.51) ADRB3ACHEPOLBALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed