SCHEMBL9446753

SCHEMBL9446753

CCOCCOc1ccc(CC(C)N)nc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.43
ACACB O00763 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
SLC6A4 P31645 1/20 0.36

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
SCHEMBL9446763 0.85 SLC6A4 (0.41) ACACBPPARGPPARASLC6A4
SCHEMBL27166331 0.83 NCF1 (0.39) NCF1ACACBPPARGPPARA
SCHEMBL27166261 0.83 NCF1 (0.39) NCF1ACACBPPARGPPARA
SCHEMBL9446816 0.83 NCF1 (0.38) NCF1ACACBPPARGPPARA
Hydrochloric Acid SCHEMBL27166252 0.82 NCF1 (0.39) NCF1ACACBPPARGPPARA
Hydrochloric Acid SCHEMBL27166328 0.82 NCF1 (0.39) NCF1ACACBPPARGPPARA
SCHEMBL9446853 0.82 NR1I2 (0.39) PPARGPPARASLC6A4
SCHEMBL14117415 0.81 NCF1 (0.45) NCF1
SCHEMBL11384767 0.78 NCF1 (0.43) NCF1ACACBPPARGPPARA
SCHEMBL10562624 0.78 SLC6A4 (0.56) ACACBSLC6A4

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
US-5216170-A Promoters of livestock; treatment of obesity BAYER AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
US-5028617-A Heteroarylethanol-pyridylalkylamines for controlling animal growth BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0379928-A2 Aryl- and heteroarylethanol-pyridylalkylamines, process for their preparation and their use as performance stimulators by animals and as anti-adipositas agent BAYER AG (DE) 1990-08-01 EP disclosed