SCHEMBL2654485

SCHEMBL2654485

CC(C)c1cccc(-c2ccc(SCCCCCCCc3ccc(C(=O)NCCC(=O)O)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GCG P01275 1/20 0.47
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
GCGR P47871 5/20 0.44
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 1/20 0.42
PTAFR P25105 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 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
SCHEMBL2656425 0.87 HRH3 (0.44) NPC1RAB9ASMN1; SMN2GCGPTAFR
SCHEMBL2654574 0.84 GCG (0.57) NPC1RAB9ASMN1; SMN2GCGPTAFR
SCHEMBL2654871 0.84 SLC13A5 (0.45) GCGRGIPR
SCHEMBL2653397 0.84 HSD17B10 (0.49) NPC1RAB9ASMN1; SMN2GCGHRH3
SCHEMBL2656017 0.84 S1PR1 (0.53) GCGRHRH3KMT2A
SCHEMBL2654996 0.82 FFAR1 (0.48) NPC1RAB9ASMN1; SMN2GCGHRH3
SCHEMBL2654669 0.81 CA1 (0.46) NPC1RAB9AGCGRHRH3HDAC1
SCHEMBL2655431 0.80 EPHX2 (0.47) GCGRHRH3GIPRPLA2G4B
SCHEMBL2655347 0.80 HPGD (0.43) NPC1RAB9ASMN1; SMN2GCGGCGR
SCHEMBL1765537 0.77 GCG (0.58) NPC1RAB9ASMN1; SMN2GCGRXRA

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