SCHEMBL6554133

SCHEMBL6554133

O=C(O)CCc1cncn1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KEAP1 Q14145 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
KMT2A Q03164 3/20 0.41
P2RX4 Q99571 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 3/20 0.40
THRA P10827 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
SCHEMBL11611947 0.81 FNTA (0.43) CYP11B1CYP11B2KEAP1FNTAFNTB
SCHEMBL18536815 0.80 CYP11B1 (0.48) CYP11B1CYP11B2KMT2ATDP1LMNA
SCHEMBL7300346 0.79 SLC7A5 (0.47) FNTAFNTBPGGT1BKMT2AMEN1
SCHEMBL7167349 0.77 CYP11B1 (0.48) CYP11B1CYP11B2KMT2AP2RX4TDP1
SCHEMBL11463027 0.77 DPP4 (0.40) FNTAFNTBPGGT1BKMT2AP2RX4
SCHEMBL22784007 0.76 ALDH1A1 (0.45) CYP11B1CYP11B2KMT2AP2RX4TDP1
SCHEMBL7273866 0.75 ITGA4 (0.47) ALDH1A1
SCHEMBL2789678 0.74 NR1H2 (0.38) CYP11B1CYP11B2
SCHEMBL9092547 0.73 CYP11B1 (0.73) CYP11B1CYP11B2FFAR1KEAP1
SCHEMBL13601988 0.69 CYP11B1 (0.40) CYP11B1CYP11B2KMT2AMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708179-B1 Glucagon-like insulinotropic peptide analogs, compositions, and methods of use LILLY CO ELI (US) 2004-12-22 EP disclosed
US-5512549-A ANTIDIABETIC AGENTS ELI LILLY AND COMPANY (US) 1996-04-30 US disclosed
EP-0708179-A2 Glucagon-like insulinotropic peptide analogs, compositions, and methods of use ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed