SCHEMBL2653535

SCHEMBL2653535

CC(C)(C)c1ccc(-c2ccc(OCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.55
ADCY6 O43306 4/20 0.55
ADCY3 O60266 4/20 0.55
ADCY9 O60503 4/20 0.55
ADCY5 O95622 4/20 0.55
ADCY8 P40145 4/20 0.55
ADCY7 P51828 4/20 0.55
ADCY2 Q08462 4/20 0.55
ADCY1 Q08828 4/20 0.55
ADCY4 Q8NFM4 4/20 0.55
NR1H4 Q96RI1 3/20 0.46
EPHX2 P34913 2/20 0.46
ESRRG P62508 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
GCG P01275 1/20 0.46
S1PR1 P21453 4/20 0.45

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
SCHEMBL2654468 0.91 PPARD (0.51) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655125 0.90 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654607 0.88 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2657149 0.88 GCGR (0.46) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655220 0.88 NPC1 (0.57) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2656581 0.88 NPC1 (0.57) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2655124 0.88 NPC1 (0.57) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654702 0.87 NPC1 (0.58) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2651984 0.87 NPC1 (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2654611 0.85 GCGR (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO claimed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed