SCHEMBL2656779

SCHEMBL2656779

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1OCCCCCCCc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
MCHR1 Q99705 7/20 0.50
GCGR P47871 3/20 0.48
GCG P01275 3/20 0.47
CYP2D6 P10635 2/20 0.46
CHRM1 P11229 2/20 0.46
HTR2A P28223 2/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 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
SCHEMBL2653903 0.90 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2653225 0.89 MEN1 (0.46) GCGRPPARDPPARAGIPR
SCHEMBL2662580 0.86 S1PR1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2654437 0.79 S1PR1 (0.55) CYP2D6NPC1SMN1; SMN2GAARAB9A
SCHEMBL2653847 0.78 NPC1 (0.57) GCGRNPC1SMN1; SMN2RAB9AMAPT
SCHEMBL2655491 0.78 S1PR1 (0.51) GCGRNPC1SMN1; SMN2RAB9AMAPT
SCHEMBL11471260 0.78 NPC1 (0.66) MCHR1CYP2D6CHRM1HTR2ANPC1
SCHEMBL11473837 0.78 NPC1 (0.66) MCHR1CYP2D6CHRM1HTR2ANPC1
SCHEMBL2655645 0.77 GCGR (0.47) GCGRNPC1SMN1; SMN2GAARAB9A
SCHEMBL2654170 0.77 NPC1 (0.64) GCGRNPC1SMN1; SMN2RAB9AMAPT

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