SCHEMBL5314932

SCHEMBL5314932

Cc1cccc2c1CC(NC(=O)O)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGL P06737 7/20 0.43
PYGM P11217 5/20 0.43
CREBBP Q92793 2/20 0.38
BRD4 O60885 1/20 0.37
HTR5A P47898 1/20 0.36
RIPK1 Q13546 5/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AADAT Q8N5Z0 1/20 0.35

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
SCHEMBL25330404 0.84 PYGL (0.42) PYGLPYGMRIPK1DDB1CRBN
SCHEMBL3948178 0.84 PYGL (0.42) PYGLPYGMBRD4RIPK1DDB1
SCHEMBL8274796 0.84 EPHX2 (0.47) PYGLPYGMCREBBPBRD4RIPK1
SCHEMBL8274775 0.82 CREBBP (0.39) PYGLPYGMCREBBPBRD4HTR5A
SCHEMBL13750022 0.80 NAAA (0.47) CRBNALDH1A1LMNASMN1; SMN2
SCHEMBL15541576 0.78 PYGL (0.64) PYGLPYGMCREBBPBRD4RIPK1
SCHEMBL29900499 0.78 PYGL (0.64) PYGLPYGMCREBBPBRD4RIPK1
SCHEMBL25329367 0.78 PYGL (0.64) PYGLPYGMCREBBPBRD4RIPK1
SCHEMBL13090959 0.77 CREBBP (0.42) CREBBPBRD4HTR5ADDB1CRBN
SCHEMBL4390484 0.75 PYGL (0.46) PYGLPYGMDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758863-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES AstraZeneca AB (SE) 2007-03-07 EP disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 WO disclosed