SCHEMBL2652849

SCHEMBL2652849

CC(C)Cc1ccc(-c2ccc(CCCCCCOc3ccc(C(=O)NCCC(=O)O)cc3)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
S1PR1 P21453 3/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.43
GCGR P47871 6/20 0.42
THRB P10828 1/20 0.42
GIPR P48546 2/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL2655297 0.94 GCG (0.68) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2651800 0.90 CASP3 (0.53) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2651512 0.90 GCG (0.51) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2653154 0.90 GCG (0.53) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2651554 0.89 SMN1; SMN2 (0.58) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2652820 0.89 S1PR1 (0.54) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2654629 0.89 GCG (0.55) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2653579 0.88 NPC1 (0.50) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2651753 0.88 GCG (0.49) GCGSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2653197 0.87 GCG (0.62) GCGSMN1; SMN2MAPTRAB9ANPC1

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP claimed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO claimed