SCHEMBL6554136

SCHEMBL6554136

CC(C(=O)O)c1cn(C(=O)OCc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.41
HTR2C P28335 1/20 0.40
P2RX4 Q99571 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
SLC15A1 P46059 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22784012 0.90 ALDH1A1 (0.44) ALDH1A1ATMHTR2CP2RX4KMT2A
SCHEMBL9880595 0.80 HTR2C (0.48) ALDH1A1HTR2CP2RX4KMT2AMEN1
SCHEMBL20173266 0.76 HTR2C (0.45) ALDH1A1HTR2CP2RX4KMT2AMEN1
SCHEMBL2837955 0.76 SLC7A5 (0.48) P2RX4KMT2AMEN1SMN1; SMN2SLC15A1
SCHEMBL7167346 0.76 FAAH (0.48) ALDH1A1HTR2CP2RX4KMT2AMEN1
SCHEMBL10887553 0.71 CTSB (0.37) ALDH1A1HTR2CP2RX4KMT2AMEN1
SCHEMBL28935982 0.71 NR1H2 (0.41) ALDH1A1HTR2CP2RX4KMT2AMEN1
SCHEMBL29203797 0.70 HTR2C (0.39) ALDH1A1HTR2CP2RX4KMT2AMEN1
SCHEMBL323456 0.70 ALDH1A1 (0.52) ALDH1A1HTR2CP2RX4KMT2AMEN1
SCHEMBL1170984 0.69 ALDH1A1 (0.55) ALDH1A1HTR2CP2RX4KMT2AMEN1

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