SCHEMBL2654622

SCHEMBL2654622

CC(C)(C)c1ccc(-c2ccc(OCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.53
GCGR P47871 6/20 0.49
GIPR P48546 1/20 0.49
NR1H4 Q96RI1 3/20 0.48
ESRRG P62508 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
EPHX2 P34913 2/20 0.48
POLB P06746 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
ADCY6 O43306 3/20 0.47
ADCY3 O60266 3/20 0.47
ADCY9 O60503 3/20 0.47
ADCY5 O95622 3/20 0.47
ADCY8 P40145 3/20 0.47
ADCY7 P51828 3/20 0.47
ADCY2 Q08462 3/20 0.47
ADCY1 Q08828 3/20 0.47
ADCY4 Q8NFM4 3/20 0.47

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
SCHEMBL2653579 0.94 NPC1 (0.50) GCGGCGRGIPRNR1H4ESRRG
SCHEMBL2654032 0.92 ESRRG (0.47) GCGGCGRGIPRNR1H4ESRRG
SCHEMBL2654456 0.90 GCG (0.50) GCGGCGRGIPRCYP4F2CYP4A11
SCHEMBL2655011 0.90 GCG (0.50) GCGGCGRGIPRCYP4F2CYP4A11
SCHEMBL2654793 0.90 GCG (0.50) GCGGCGRGIPRCYP4F2CYP4A11
SCHEMBL2657400 0.89 GCG (0.50) GCGGCGRGIPRNR1H4ESRRG
SCHEMBL2654702 0.89 NPC1 (0.58) GCGRNR1H4ESRRGNPC1RAB9A
SCHEMBL2656581 0.88 NPC1 (0.57) GCGRNR1H4ESRRGNPC1RAB9A
SCHEMBL2655220 0.88 NPC1 (0.57) GCGRNR1H4ESRRGNPC1RAB9A
SCHEMBL2655124 0.88 NPC1 (0.57) GCGRNR1H4ESRRGNPC1RAB9A

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