SCHEMBL2653903

SCHEMBL2653903

Cc1cc(-c2ccc(Cl)cc2)ccc1OCCCCCCCc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55
PSENEN Q9NZ42 1/20 0.55
MCHR1 Q99705 6/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GCGR P47871 2/20 0.47
GIPR P48546 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GCG P01275 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46

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
SCHEMBL2656779 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2662580 0.85 S1PR1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2655041 0.81 PPARD (0.50) GCGRGCGPPARGPPARDPPARA
SCHEMBL2653225 0.79 MEN1 (0.46) GCGRGIPRS1PR1PPARDPPARA
SCHEMBL2654437 0.78 S1PR1 (0.55) GAAS1PR1MAPTHTTCYP2D6
SCHEMBL2653847 0.77 NPC1 (0.57) GCGRS1PR1MAPTL3MBTL1SMN1; SMN2
SCHEMBL2654574 0.77 GCG (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2655491 0.77 S1PR1 (0.51) GCGRS1PR1MAPTSMN1; SMN2NPC1
SCHEMBL11471260 0.77 NPC1 (0.66) MCHR1GAAMAPTCYP2D6CHRM1
SCHEMBL11473837 0.77 NPC1 (0.66) MCHR1GAAMAPTCYP2D6CHRM1

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