SCHEMBL5004858

SCHEMBL5004858

CCNCC1=C(c2ccc(Cl)cc2)S(=O)(=O)NC12CCCC2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
SSTR3 P32745 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PDE7B Q9NP56 1/20 0.31
FPR2 P25090 1/20 0.31
CNR1 P21554 3/20 0.31
CNR2 P34972 3/20 0.31
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GALR1 P47211 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL5964210 0.99 AKR1B1 (0.34) AKR1B1SSTR3BCHEACHEPDE7B
SCHEMBL5963749 0.90 FPR2 (0.34) AKR1B1SSTR3FPR2CNR1CNR2
SCHEMBL5963604 0.89 POLB (0.35) AKR1B1SSTR3PDE7BKMT2AGALR1
SCHEMBL5964279 0.87 AKR1B1 (0.31) AKR1B1SLC6A2SLC6A4SLC6A3
SCHEMBL5004773 0.87 ALDH1A1 (0.36) SSTR3KMT2ASLC6A4SLC6A3
SCHEMBL5963456 0.87 SLC6A2 (0.36) SSTR3PDE7BKMT2ASLC6A2SLC6A4
SCHEMBL5963816 0.87 OPRM1 (0.35) AKR1B1FPR2
SCHEMBL5963305 0.86 SLC6A3 (0.39) AKR1B1SSTR3FPR2SLC6A2SLC6A4
SCHEMBL5963556 0.86 KMT2A (0.34) PDE7BKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5007459 0.86 FPR2 (0.32) AKR1B1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396846-B2 Growth hormone secretagogues ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
EP-1497316-B1 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2006-07-05 EP disclosed
US-20050240001-A1 2-(2-Amino-2-methylpropionylamino)-3-(2,6-difluoro-3-methylphenyl)methoxy propionic acid N-[5-(4-chlorophenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydroisothiazol-4-ylmethyl]-N-ethylamide; endogenous human growth hormone controller; non-peptidyl in nature, more metabolically stable ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed