SCHEMBL3839561

SCHEMBL3839561

CC(O)C(Cl)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MAPK1 P28482 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SLC18A3 Q16572 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
SCHEMBL5155773 0.80 ALDH1A1 (0.42) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL13963168 0.80 CYP3A4 (0.47) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL7673890 0.79 IDO1 (0.44) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL29626738 0.79 MEN1 (0.47) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL11633922 0.79 ALDH1A1 (0.44) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL343476 0.79 MEN1 (0.47) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL852720 0.79 MEN1 (0.47) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL38663914 0.79 ALDH1A1 (0.44) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL1285074 0.79 MEN1 (0.47) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3
SCHEMBL16954053 0.78 ALDH1A1 (0.41) SLC6A2SLC6A4CYP3A4CYP2D6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
EP-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
EP-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed