SCHEMBL2654877

SCHEMBL2654877

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
GCGR P47871 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PPARA Q07869 3/20 0.35
TP53 P04637 1/20 0.35
PPARD Q03181 3/20 0.34
PPARG P37231 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL2652866 0.92 GCGR (0.43) GCGRPPARAPPARDPPARGKMT2A
SCHEMBL2653251 0.91 GCGR (0.37) GCGRMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2654086 0.90 GCGR (0.40) HPGDGCGRMAPTKDM4ELMNA
SCHEMBL2654294 0.87 MEN1 (0.41) HPGDMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2653339 0.87 GCGR (0.42) GCGRPPARAPPARDPPARG
SCHEMBL2653034 0.86 HPGD (0.43) HPGDMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2653431 0.85 HPGD (0.47) HPGDMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2662283 0.84 MEN1 (0.46) GCGRSPHK2ADRB2ADRB1TP53
SCHEMBL2655151 0.83 PPARA (0.39) HPGDMAPTKDM4ELMNASMN1; SMN2
SCHEMBL2655260 0.83 GCGR (0.45) GCGRPPARAPPARDPPARGKMT2A

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed