SCHEMBL8766759

SCHEMBL8766759

COc1cccc(CC(CCC(=O)OC(C)(C)C)NC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 8/20 0.44
CTSK P43235 1/20 0.43
CACNA1B Q00975 1/20 0.43
MME P08473 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL8765859 0.85 MME (0.51) MTNR1AMTNR1BMMETAAR1MEN1
SCHEMBL8765871 0.85 MME (0.51) MTNR1AMTNR1BMMETAAR1MEN1
SCHEMBL8765905 0.81 TAAR1 (0.52) CTSKCACNA1BTAAR1MEN1KMT2A
SCHEMBL29676431 0.80 MTNR1A (0.52) MTNR1AMTNR1BTAAR1
SCHEMBL29676287 0.80 MTNR1A (0.52) MTNR1AMTNR1BTAAR1
SCHEMBL8765558 0.79 TAAR1 (0.43) CTSKCACNA1BTAAR1MEN1POLB
SCHEMBL30760647 0.78 CTSK (0.60) CTSKCACNA1B
SCHEMBL28678349 0.78 CTSK (0.60) CTSKCACNA1B
SCHEMBL22457812 0.78 CTSK (0.60) CTSKCACNA1B
SCHEMBL27370787 0.77 ITGA4 (0.47) MTNR1AMTNR1BCACNA1B

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 4 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
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO disclosed