SCHEMBL2655814

SCHEMBL2655814

COC(=O)CCNC(=O)c1ccc(CCC(C)(C)COc2cnc(Cl)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
PPARA Q07869 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FABP2 P12104 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
ESRRG P62508 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.35
ESRRB O95718 1/20 0.35

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
SCHEMBL2654449 0.85 CYP4A11 (0.40) SMN1; SMN2ALDH1A1MAPTGAARAB9A
SCHEMBL2654945 0.82 RXRA (0.38) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL2654812 0.81 GCGR (0.51) MEN1KMT2AESRRGMAPTRAB9A
SCHEMBL2653229 0.81 GCGR (0.47) MEN1KMT2ASMN1; SMN2PPARAALDH1A1
SCHEMBL2654566 0.81 KMT2A (0.54) MEN1KMT2ASMN1; SMN2PPARAALDH1A1
SCHEMBL2655103 0.80 GCGR (0.47) MEN1KMT2ASMN1; SMN2PPARAPPARG
SCHEMBL2653412 0.79 PSEN1 (0.44) SMN1; SMN2PPARAALDH1A1FABP2PPARG
SCHEMBL2652666 0.78 TRPV1 (0.46) TRPV1
SCHEMBL1765815 0.76 GCG (0.46)
SCHEMBL2655085 0.76 GCGR (0.46) PPARAPPARD

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