SCHEMBL2653891

SCHEMBL2653891

Cc1cc(OCC(C)Cc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.42
MCL1 Q07820 2/20 0.39
GIPR P48546 2/20 0.36
PRSS1 P07477 2/20 0.35
TMPRSS15 P98073 2/20 0.35
KMT2A Q03164 1/20 0.35
GCG P01275 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
SCHEMBL2654006 0.92 GCGR (0.35) GCGRMCL1
SCHEMBL2653953 0.91 GCGR (0.43) GCGRMCL1GIPRKMT2AGCG
SCHEMBL2654374 0.90 GCGR (0.51) GCGRMCL1GIPRKMT2A
SCHEMBL2653132 0.89 GCGR (0.46) GCGRMCL1GIPRGCG
SCHEMBL2652622 0.88 GCGR (0.42) GCGRGIPR
SCHEMBL2653101 0.86 GCGR (0.42) GCGRMCL1GIPRKMT2AGCG
SCHEMBL2654239 0.84 GCGR (0.41) GCGRMCL1GIPRPRSS1TMPRSS15
SCHEMBL2653440 0.84 GCGR (0.39) GCGRMCL1GIPRKMT2AGCG
SCHEMBL2653999 0.83 FFAR1 (0.41) GCGRMCL1KMT2A
SCHEMBL2654108 0.83 GCGR (0.52) GCGRGIPRGCG

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed