SCHEMBL2653978

SCHEMBL2653978

CC(C)(C)OC(=O)CCNC(=O)c1ccc(OCCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GCG P01275 1/20 0.41
THRB P10828 1/20 0.41
GCGR P47871 1/20 0.41
GIPR P48546 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
P2RY14 Q15391 1/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
KDM1A O60341 2/20 0.40
HDAC1 Q13547 2/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL2662329 0.92 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2650861 0.89 GCGR (0.46) MAPTSMN1; SMN2THRBGCGRGIPR
SCHEMBL2651240 0.89 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2652224 0.88 GCGR (0.51) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2652203 0.86 GCGR (0.50) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2653041 0.85 GCGR (0.49) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2651583 0.85 GCGR (0.49) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2652475 0.85 GCGR (0.49) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2651638 0.85 GCGR (0.49) MEN1KMT2AMAPTSMN1; SMN2GCG
SCHEMBL2652938 0.84 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2GCG

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