SCHEMBL2652878

SCHEMBL2652878

COC(=O)c1ccc(OCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 3/20 0.54
CYP4A11 Q02928 2/20 0.52
CYP4F2 P78329 1/20 0.52
MAOB P27338 2/20 0.50
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NAAA Q02083 1/20 0.45

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
SCHEMBL2652509 0.96 MEN1 (0.56) MEN1KMT2AMAPTCYP4A11CYP4F2
SCHEMBL2652371 0.86 PLA2G4B (0.56) MEN1KMT2AMAPTMAOB
SCHEMBL2652734 0.84 MEN1 (0.57) MEN1KMT2AMAPTMAOBRAB9A
SCHEMBL2653250 0.84 MEN1 (0.57) MEN1KMT2AMAPTMAOBRAB9A
SCHEMBL2653634 0.83 MEN1 (0.49) MEN1KMT2AMAOBRAB9APPARA
SCHEMBL2654466 0.83 MEN1 (0.56) MEN1KMT2AMAPTMAOBRAB9A
SCHEMBL2653990 0.83 MEN1 (0.56) MEN1KMT2AMAPTMAOBRAB9A
SCHEMBL2652217 0.83 BCL2 (0.54) MEN1KMT2AMAOBPPARAPPARD
SCHEMBL2653079 0.83 BCL2 (0.54) MEN1KMT2AMAOBPPARAPPARD
SCHEMBL15437084 0.82 CYP4A11 (0.58) MAPTCYP4A11CYP4F2MAOBLMNA

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed