SCHEMBL143913

SCHEMBL143913

COC(CN)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
TDO2 P48775 1/20 0.45
AOC3 Q16853 5/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
AGXT P21549 2/20 0.38
MAOA P21397 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL3538527 0.98 IDO1 (0.47) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL14587086 0.84 IDO1 (0.42) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL27577890 0.82 IDO1 (0.41) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL10860910 0.80 AOC3 (0.66) IDO1AOC3SLC6A2SLC6A4TAAR1
SCHEMBL8437051 0.79 IDO1 (0.42) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL10860685 0.79 AOC3 (0.67) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL4032416 0.79 AOC3 (0.67) IDO1AOC3TAAR1AGXTALDH1A1
Hydrochloric Acid SCHEMBL31332740 0.77 AOC3 (0.65) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL7699744 0.77 HTR2A (0.48) IDO1AOC3SLC6A2SLC6A4HTR2A
SCHEMBL913620 0.77 TAAR1 (0.52) SLC6A2SLC6A4HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143824-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2013-06-06 US claimed
US-20120058953-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2012-03-08 US claimed
US-20110039324-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2011-02-17 US claimed
US-20090148921-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. (US) 2009-06-11 US claimed
EP-1590666-B1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2008-07-09 EP claimed
EP-1590666-A4 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2006-07-26 EP claimed
EP-1590666-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS Genentech, Inc. (US) 2005-11-02 EP claimed
US-20040171554-A1 Compositions and methods for enhancing apoptosis GENENTECH, INC. 2004-09-02 US claimed
WO-2004072641-A1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH, INC. (US) 2004-08-26 WO claimed
EP-1590666-B1 COMPOSITIONS AND METHODS FOR ENHANCING APOPTOSIS GENENTECH INC (US) 2008-07-09 EP disclosed
US-4629737-A HYPOGLYCEMIC AGENTS; DIETETICS BEECHAM GROUP P.L.C. (GB) 1986-12-16 US disclosed
EP-0099707-B1 2-AMINOETHYL ETHER DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1986-12-10 EP disclosed
EP-0099707-A1 2-Aminoethyl ether derivatives, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1984-02-01 EP disclosed