SCHEMBL5000971

SCHEMBL5000971

CC(C)(C)OC(=O)C(CN)CC1=C(c2ccc(F)cc2)S(=O)(=O)N(Cc2ccccc2)C12CCCCC2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 9/20 0.34
PABPC1 P11940 1/20 0.32
CHRM4 P08173 1/20 0.32
TRPA1 O75762 1/20 0.32
P2RX7 Q99572 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
RAB9A P51151 1/20 0.30
NPFFR1 Q9GZQ6 1/20 0.30
NPFFR2 Q9Y5X5 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL5001010 0.74 CACNA1G (0.38) CACNA1G
SCHEMBL14117576 0.68 GHSR (0.31) CACNA1GRAB9A
SCHEMBL6280917 0.64 AMPD2 (0.37)
Thiophene SCHEMBL27291067 0.62 ITGA4 (0.43) ITGA4ITGB7
SCHEMBL27886794 0.59 CA2 (0.46) ITGA4ITGB7
SCHEMBL7321839 0.59 MME (0.45) ITGA4ITGB7
SCHEMBL4992578 0.59 SLC15A1 (0.43) OPRK1
SCHEMBL7364029 0.59 SYK (0.51)
SCHEMBL3697349 0.58 PPARG (0.44) OPRK1
SCHEMBL19377834 0.58 MMP2 (0.48) ITGA4ITGB7

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
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