SCHEMBL5001010

SCHEMBL5001010

CCNCC1=C(c2ccc(F)cc2)S(=O)(=O)N(Cc2ccccc2)C12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 10/20 0.38
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5963964 0.83 LMNA (0.31)
SCHEMBL5963606 0.77 LMNA (0.32) SIGMAR1
SCHEMBL5004854 0.76 HSD11B1 (0.32)
SCHEMBL5000971 0.74 CACNA1G (0.34) CACNA1G
SCHEMBL5900737 0.73 EBP (0.33) KMT2A
SCHEMBL5964213 0.73 HSD11B1 (0.33) DRD2
SCHEMBL5963669 0.71 CHRNB2 (0.37)
SCHEMBL5004773 0.70 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL5964134 0.70 LMNA (0.36)
SCHEMBL6280917 0.69 AMPD2 (0.37) ALDH1A1DRD2SIGMAR1KMT2A

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