SCHEMBL8765859

SCHEMBL8765859

COc1cccc(C[C@H](CCC(=O)O)NC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.51
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL8765871 1.00 MME (0.51) MMEMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8766759 0.85 MTNR1A (0.44) MMEMTNR1AMTNR1BMEN1KMT2A
SCHEMBL29676287 0.84 MTNR1A (0.52) MTNR1AMTNR1BTAAR1
SCHEMBL29676431 0.84 MTNR1A (0.52) MTNR1AMTNR1BTAAR1
SCHEMBL28244453 0.79 MTNR1A (0.66) MTNR1AMTNR1BTAAR1
SCHEMBL27922345 0.79 MTNR1A (0.66) MTNR1AMTNR1BTAAR1
SCHEMBL11304567 0.78 MTNR1A (0.53) MTNR1AMTNR1BTAAR1
SCHEMBL22441265 0.78 CTSK (0.52) MTNR1AMTNR1BMEN1KMT2ATAAR1
SCHEMBL22441262 0.78 CTSK (0.52) MTNR1AMTNR1BMEN1KMT2ATAAR1
SCHEMBL6139248 0.76 POLB (0.61) MTNR1AMTNR1BMEN1KMT2APOLB

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