SCHEMBL2653760

SCHEMBL2653760

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.50
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
ADCY6 O43306 3/20 0.38
ADCY3 O60266 3/20 0.38
ADCY9 O60503 3/20 0.38
ADCY5 O95622 3/20 0.38
ADCY8 P40145 3/20 0.38
ADCY7 P51828 3/20 0.38
ADCY2 Q08462 3/20 0.38
ADCY1 Q08828 3/20 0.38
ADCY4 Q8NFM4 3/20 0.38
ACKR3 P25106 1/20 0.37
GIPR P48546 1/20 0.37
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
PPARG P37231 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
SCHEMBL2654243 0.93 GCGR (0.47) GCGRKMT2AMCL1GIPRPPARG
SCHEMBL2653300 0.90 GCGR (0.41) GCGRKMT2AMCL1ADCY6ADCY3
SCHEMBL2653964 0.89 GCGR (0.53) GCGRKMT2AMCL1ADCY6ADCY3
SCHEMBL2652629 0.88 GCGR (0.51) GCGRKMT2AMCL1ADCY6ADCY3
SCHEMBL2654052 0.87 GCGR (0.51) GCGRKMT2AMCL1ADCY6ADCY3
SCHEMBL2652221 0.86 GCGR (0.50) GCGRKMT2AMCL1ADCY6ADCY3
SCHEMBL2654422 0.85 GCGR (0.49) GCGRKMT2AMCL1ADCY6ADCY3
SCHEMBL2654450 0.85 GCGR (0.47) GCGRKMT2AMCL1GIPRPPARG
SCHEMBL2654374 0.84 GCGR (0.51) GCGRKMT2AMCL1ADCY6ADCY3
SCHEMBL2653982 0.84 GCGR (0.44) GCGRKMT2AMCL1ADCY6ADCY3

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 4 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
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