SCHEMBL2653335

SCHEMBL2653335

CCC(CCc1ccc(C(=O)NCCC(=O)O)s1)COc1cc(C)c(-c2ccc(C(C)(C)C)cc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.50
ADCY6 O43306 2/20 0.36
ADCY3 O60266 2/20 0.36
ADCY9 O60503 2/20 0.36
ADCY5 O95622 2/20 0.36
ADCY8 P40145 2/20 0.36
ADCY7 P51828 2/20 0.36
ADCY2 Q08462 2/20 0.36
ADCY1 Q08828 2/20 0.36
ADCY4 Q8NFM4 2/20 0.36
VDR P11473 2/20 0.36
MCL1 Q07820 1/20 0.36
KMT2A Q03164 1/20 0.36
ACKR3 P25106 1/20 0.34
FFAR1 O14842 1/20 0.34
GIPR P48546 1/20 0.34
GCG P01275 1/20 0.34

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
SCHEMBL2654872 0.93 GCGR (0.42) GCGRVDRMCL1KMT2AACKR3
SCHEMBL2652676 0.90 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2652629 0.87 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654052 0.86 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654374 0.85 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2652221 0.85 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653964 0.85 GCGR (0.53) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654422 0.84 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655507 0.84 GCGR (0.45) GCGRMCL1GIPRGCG
SCHEMBL2652220 0.84 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5

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 claimed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO claimed