SCHEMBL7330792

SCHEMBL7330792

CC(C)OC(Cc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.54
EPHX1 P07099 1/20 0.50
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
TSHR P16473 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL8023124 0.86 SRR (0.62) SRRPPARGPPARA
SCHEMBL24328238 0.86 SRR (0.62) SRRPPARGPPARA
SCHEMBL14159050 0.83 SRR (0.50) SRRPPARGPPARATSHRNPC1
Hydrochloric Acid SCHEMBL5754335 0.82 SRR (0.61) SRREPHX1PPARGPPARAALPI
SCHEMBL4780746 0.82 SRR (0.61) SRREPHX1PPARGPPARAALPI
SCHEMBL14535390 0.80 RIPK1 (0.44) SRRPPARGPPARATSHRNPC1
SCHEMBL29156974 0.79 SRR (0.54) SRREPHX1PPARGPPARAALPI
SCHEMBL28982634 0.79 SRR (0.58) SRREPHX1PPARGPPARAALPI
SCHEMBL5272171 0.77 PPARG (0.66) PPARGPPARA
SCHEMBL28189349 0.77 SRR (0.51) SRREPHX1PPARGPPARAALPI

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
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP disclosed
EP-0639973-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-01 EP disclosed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 WO disclosed