SCHEMBL7958788

SCHEMBL7958788

Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.62
KDM4E B2RXH2 2/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL7949133 0.91 NPY1R (0.65) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7958718 0.90 NPY1R (0.62) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7958879 0.89 NPY1R (0.61) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7960792 0.89 NPY1R (0.58) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7963264 0.88 NPY1R (0.60) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7956632 0.87 NPY1R (0.59) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7956905 0.84 NPY1R (0.83) NPY1RMAPTMEN1KMT2ANPC1
SCHEMBL7956916 0.83 NPY1R (0.57) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7958925 0.82 NPY1R (0.71) NPY1RKDM4ETSHRL3MBTL1ALOX15
SCHEMBL7949157 0.81 NPY1R (0.56) NPY1RKDM4ETSHRL3MBTL1ALOX15

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