SCHEMBL2652891

SCHEMBL2652891

CCC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1)Oc1ccc(C(=O)NC(C)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
GCG P01275 1/20 0.42
DGAT1 O75907 3/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PPARG P37231 5/20 0.41
EPHX2 P34913 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PPARD Q03181 2/20 0.39
TP53 P04637 2/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
SCN9A Q15858 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2270333 0.85 GCG (0.57) GCG
SCHEMBL2270335 0.85 GCG (0.57) GCG
SCHEMBL2268771 0.76 PPARG (0.49) PPARAMMEACECPA1ACE2
SCHEMBL2271648 0.74 PPARG (0.45) PPARAMMEACECPA1ACE2
SCHEMBL2271566 0.74 GCGR (0.53) PPARAGCGPPARGEPHX2PPARD
SCHEMBL5926405 0.73 CA2 (0.54) DGAT1MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL5926912 0.73 CA2 (0.54) DGAT1MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL6099520 0.73 GPR132 (0.52) PPARAMRGPRX4PPARDKDM1AHDAC1
SCHEMBL820993 0.72 CA2 (0.58) MRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL1981008 0.72 CA2 (0.58) MRGPRX4NPC1RAB9ASMN1; SMN2

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