SCHEMBL2653300

SCHEMBL2653300

Cc1cc(OCC(C)(C)Cc2ccc(C(=O)NCCC(=O)O)s2)ccc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.41
ADCY6 O43306 2/20 0.38
ADCY3 O60266 2/20 0.38
ADCY9 O60503 2/20 0.38
ADCY5 O95622 2/20 0.38
ADCY8 P40145 2/20 0.38
ADCY7 P51828 2/20 0.38
ADCY2 Q08462 2/20 0.38
ADCY1 Q08828 2/20 0.38
ADCY4 Q8NFM4 2/20 0.38
KMT2A Q03164 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ACKR3 P25106 1/20 0.36
MCL1 Q07820 1/20 0.36
GIPR P48546 1/20 0.36
DGAT1 O75907 1/20 0.35
PPARD Q03181 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
SCHEMBL2654434 0.93 GCGR (0.45) GCGRMCL1PPARD
SCHEMBL2653760 0.90 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL13647269 0.90 GCGR (0.44) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654407 0.87 GCGR (0.42) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2656490 0.86 GCGR (0.41) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653895 0.86 GCGR (0.38) GCGRPPARD
SCHEMBL2656127 0.86 GCGR (0.41) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654428 0.85 GCGR (0.44) GCGRMCL1PPARD
SCHEMBL2653286 0.85 GCGR (0.42) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654055 0.84 GCGR (0.43) 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