SCHEMBL2652487

SCHEMBL2652487

O=C(O)CCNC(=O)c1ccc(OCCCCCCCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.43
GCGR P47871 9/20 0.43
GIPR P48546 7/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
GCG P01275 1/20 0.41
PPARG P37231 1/20 0.41
LTB4R Q15722 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2652464 0.92 PPARD (0.44) PPARDPPARALMNATP53MAPT
SCHEMBL2652102 0.91 PPARD (0.49) PPARDPPARAGCGRLMNATP53
SCHEMBL2653041 0.88 GCGR (0.49) GCGRGIPRMAPTGCGNPC1
SCHEMBL2651583 0.88 GCGR (0.49) GCGRGIPRMAPTGCGNPC1
SCHEMBL2651638 0.88 GCGR (0.49) GCGRGIPRMAPTGCGNPC1
SCHEMBL2652475 0.88 GCGR (0.49) GCGRGIPRMAPTGCGNPC1
SCHEMBL2652924 0.88 SMN1; SMN2 (0.53) PPARDPPARATP53MAPTLTB4R
SCHEMBL2652203 0.87 GCGR (0.50) GCGRGIPRMAPTGCGNPC1
SCHEMBL2654456 0.85 GCG (0.50) GCGRGIPRGCG
SCHEMBL2654793 0.85 GCG (0.50) GCGRGIPRGCG

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