SCHEMBL2654953

SCHEMBL2654953

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2ccc(-c3ccc(C(C)C)cc3)c(C#N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
GCG P01275 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GCGR P47871 3/20 0.35
TP53 P04637 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
SCHEMBL2655245 0.93 GCG (0.42) RAB9ANPC1SMN1; SMN2GCGGCGR
SCHEMBL2655097 0.89 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC6
SCHEMBL2654250 0.86 NPC1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC6
SCHEMBL2655241 0.82 GCG (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1765582 0.82 GCGR (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1SCN5A
SCHEMBL2654785 0.81 NPC1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1HDAC6
SCHEMBL2654806 0.81 GCGR (0.49) RAB9ANPC1SMN1; SMN2GCGGCGR
SCHEMBL2655131 0.81 GCG (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1GCG
SCHEMBL2654789 0.80 GCG (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1GCG
SCHEMBL2656241 0.80 PPARD (0.42) GCGRGIPR

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-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