SCHEMBL13994249

SCHEMBL13994249

CCC(=O)CN(CC)[C@H](C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 3/20 0.46
HTR2A P28223 2/20 0.46
KCNH2 Q12809 2/20 0.46
ADRA2A P08913 2/20 0.46
PGR P06401 1/20 0.46
HRH1 P35367 1/20 0.46
SIGMAR1 Q99720 4/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1A P35348 2/20 0.45
OPRK1 P41145 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAOB P27338 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
TRPA1 O75762 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL14228204 0.86 TAAR1 (0.43) OPRK1SLC6A2MAOBTAAR1
SCHEMBL3046018 0.82 SLC6A2 (0.57) ADRA2BHTR2AKCNH2ADRA2ASIGMAR1
Hydrochloric Acid SCHEMBL16702960 0.81 SLC6A2 (0.55) ADRA2BHTR2AKCNH2ADRA2ASIGMAR1
SCHEMBL13994397 0.79 PGR (0.47) ADRA2BHTR2AKCNH2ADRA2APGR
SCHEMBL19113479 0.77 SIGMAR1 (0.51) ADRA2BHTR2AKCNH2ADRA2ASIGMAR1
SCHEMBL29317137 0.77 SIGMAR1 (0.51) ADRA2BHTR2AKCNH2ADRA2ASIGMAR1
SCHEMBL29137651 0.76 SIGMAR1 (0.50) ADRA2BHTR2AKCNH2ADRA2ASIGMAR1
Isobutylbenzene SCHEMBL28202538 0.75 PTGS1 (0.52) HTR2ANPC1RAB9ACYP1A2TRPA1
SCHEMBL20482051 0.75 SIGMAR1 (0.46) ADRA2BHTR2AKCNH2ADRA2APGR
SCHEMBL23157196 0.73 ACACB (0.59) ADRA2BHTR2AKCNH2ADRA2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462592-B2 Compositions and methods for polynucleotide delivery NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-09 US disclosed