SCHEMBL2656949

SCHEMBL2656949

Cc1cc(OCCCCCCCc2ccc(C(=O)NCCC(=O)O)cc2)ccc1-c1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RARB P10826 1/20 0.47
S1PR1 P21453 5/20 0.47
FFAR1 O14842 2/20 0.44
GCG P01275 2/20 0.44
S1PR3 Q99500 1/20 0.44
S1PR5 Q9H228 1/20 0.44
GCGR P47871 7/20 0.43
ADCY6 O43306 2/20 0.43
ADCY3 O60266 2/20 0.43
ADCY9 O60503 2/20 0.43
ADCY5 O95622 2/20 0.43
ADCY8 P40145 2/20 0.43
ADCY7 P51828 2/20 0.43
ADCY2 Q08462 2/20 0.43
ADCY1 Q08828 2/20 0.43
ADCY4 Q8NFM4 2/20 0.43
MEN1 O00255 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
SCHEMBL2653408 0.90 RARB (0.49) NPC1RAB9ASMN1; SMN2RARBS1PR1
SCHEMBL2654924 0.90 RARB (0.52) NPC1RAB9ASMN1; SMN2RARBS1PR1
SCHEMBL2653706 0.89 RARB (0.48) NPC1RAB9ARARBS1PR1FFAR1
SCHEMBL2655125 0.89 GCGR (0.49) NPC1RAB9ARARBS1PR1FFAR1
SCHEMBL2655236 0.88 GCGR (0.46) NPC1RAB9ASMN1; SMN2S1PR1GCG
SCHEMBL2653422 0.88 PPARD (0.51) RARBS1PR1FFAR1S1PR3S1PR5
SCHEMBL2655131 0.87 GCG (0.44) NPC1RAB9ASMN1; SMN2GCGGCGR
SCHEMBL2654685 0.86 FFAR4 (0.49) NPC1RAB9ASMN1; SMN2RARBS1PR1
SCHEMBL2653686 0.85 GCG (0.47) NPC1RAB9ASMN1; SMN2GCGGCGR
SCHEMBL2655267 0.84 RXRA (0.55) NPC1RAB9ASMN1; SMN2S1PR1FFAR1

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