SCHEMBL2904501

SCHEMBL2904501

COc1ccc(F)cc1C[Mg]Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.43
SLC6A4 P31645 15/20 0.43
SLC6A3 Q01959 15/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PKM P14618 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL2904522 0.83 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL5042303 0.81 IDO1 (0.56) MEN1ALDH1A1KMT2A
SCHEMBL1714408 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL809192 0.79 IDO1 (0.52) ALDH1A1KDM4E
SCHEMBL31737574 0.79 IDO1 (0.52) ALDH1A1KDM4E
SCHEMBL4625651 0.78 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL2904499 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL30785121 0.76 KDM4E (0.53) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL321697 0.76 KDM4E (0.53) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL2908313 0.75 PDE4A (0.50) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1

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-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP disclosed
EP-1682523-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2010-08-18 EP disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
EP-1729754-B1 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES LILLY CO ELI (US) 2008-07-02 EP disclosed