SCHEMBL574859

SCHEMBL574859

C=CCOCCc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
ELOVL1 Q9BW60 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 4/20 0.37
IDO1 P14902 3/20 0.36
AGXT P21549 2/20 0.36
AOC3 Q16853 2/20 0.36
AOC2 O75106 1/20 0.36
MAOA P21397 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL28367193 0.81 TAAR1 (0.54) TAAR1ELOVL1MAOBIDO1AGXT
SCHEMBL5347405 0.81 ESR1 (0.48) TAAR1SMN1; SMN2IDO1
SCHEMBL10056649 0.81 PPARA (0.35)
SCHEMBL13370306 0.81 GFER (0.48) MAOBMAOALOXL2
SCHEMBL1978687 0.81 TAAR1 (0.42) TAAR1MAOBIDO1MAOA
SCHEMBL27901978 0.80 IDO1 (0.48) SMN1; SMN2MAOBIDO1AGXTMAOA
SCHEMBL144596 0.80 MAPT (0.42) TAAR1SMN1; SMN2IDO1LOXL2
SCHEMBL2258380 0.79 TAAR1 (0.49) TAAR1MAOBIDO1AGXT
SCHEMBL11125764 0.78 FFAR1 (0.42) TAAR1IDO1AGXT
SCHEMBL5978162 0.78 TAAR1 (0.46) TAAR1ELOVL1MAOBIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600853-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-12 EP disclosed
WO-2012016879-A1 COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-09 WO disclosed
EP-0649418-B1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES ASTRA PHARMA PROD (GB) 1998-10-28 EP disclosed
US-5763465-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed
US-5648370-A 7-(2-aminoethyl) benzothiazolones ASTRA PHARMACEUTICALS LIMITED (GB) 1997-07-15 US disclosed
EP-0649418-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES Astra Pharmaceuticals Limited (GB) 1995-04-26 EP disclosed
WO-1993024473-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES FISONS PLC (GB) 1993-12-09 WO disclosed