SCHEMBL2652676

SCHEMBL2652676

Cc1cc(OCC(C)CCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.51
ADCY6 O43306 2/20 0.37
ADCY3 O60266 2/20 0.37
ADCY9 O60503 2/20 0.37
ADCY5 O95622 2/20 0.37
ADCY8 P40145 2/20 0.37
ADCY7 P51828 2/20 0.37
ADCY2 Q08462 2/20 0.37
ADCY1 Q08828 2/20 0.37
ADCY4 Q8NFM4 2/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
VDR P11473 2/20 0.36
ACKR3 P25106 1/20 0.35
FFAR1 O14842 1/20 0.35
GIPR P48546 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
SCHEMBL2654440 0.93 GCGR (0.47) GCGRMCL1GIPR
SCHEMBL2654374 0.92 GCGR (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654239 0.92 GCGR (0.41) GCGRKMT2AMCL1ACKR3FFAR1
SCHEMBL2653999 0.91 FFAR1 (0.41) GCGRKMT2AMCL1ACKR3FFAR1
SCHEMBL2653335 0.90 GCGR (0.50) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654055 0.90 GCGR (0.43) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2653953 0.90 GCGR (0.43) GCGRKMT2AMCL1FFAR1GIPR
SCHEMBL2655038 0.89 GCGR (0.39) GCGRKMT2AMCL1FFAR1
SCHEMBL2654266 0.89 GCGR (0.43) GCGRGIPR
SCHEMBL2652629 0.88 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