SCHEMBL7956729

SCHEMBL7956729

COC(=O)CC(O)c1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.48
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.38
EGFR P00533 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
HTR5A P47898 1/20 0.37

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
SCHEMBL7948684 0.86 NPY1R (0.52) NPY1RHPGDMAPTKMT2ASMN1; SMN2
SCHEMBL27479801 0.79 NPY1R (0.53) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7959769 0.79 NPY1R (0.62) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7959504 0.78 NPY1R (0.66) NPY1RTSHRL3MBTL1ALDH1A1MAPT
SCHEMBL7963264 0.76 NPY1R (0.60) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7956848 0.76 NPY1R (0.53) NPY1RALDH1A1MAPTKMT2AMEN1
SCHEMBL7948983 0.76 NPY1R (0.49) NPY1RALDH1A1MAPTHTR5A
SCHEMBL7948981 0.76 NPY1R (0.51) NPY1RALDH1A1MAPT
SCHEMBL7958718 0.75 NPY1R (0.62) NPY1RTSHRKDM4EALOX15TDP1
SCHEMBL7960356 0.75 NPY1R (0.50) NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
CN-1173867-A Indolyl neuropeptide Y receptor antagonists LILLY CO ELI (US) 1998-02-18 CN disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed