SCHEMBL2654785

SCHEMBL2654785

COc1cc(OCC(C)CCc2ccc(C(=O)NCCC(=O)O)cc2)ccc1-c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GCG P01275 1/20 0.43
GCGR P47871 15/20 0.43
GIPR P48546 6/20 0.43
VIPR2 P41587 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
VIPR1 P32241 1/20 0.43
DUSP2 Q05923 1/20 0.43
GLP1R P43220 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL2655241 0.91 GCG (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1GCG
SCHEMBL2654806 0.90 GCGR (0.49) NPC1RAB9ASMN1; SMN2GCGGCGR
SCHEMBL2655131 0.90 GCG (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GCG
SCHEMBL2654789 0.89 GCG (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GCG
SCHEMBL2653325 0.88 GCG (0.43) NPC1RAB9ASMN1; SMN2GCGGCGR
SCHEMBL2655245 0.87 GCG (0.42) NPC1RAB9ASMN1; SMN2GCGGCGR
SCHEMBL2656415 0.85 GCG (0.41) NPC1RAB9ASMN1; SMN2GCGGCGR
SCHEMBL2655459 0.84 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1GCG
SCHEMBL2655097 0.84 RAB9A (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1GCG
SCHEMBL2653405 0.83 GCGR (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GCG

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