SCHEMBL7949020

SCHEMBL7949020

CCOC(=O)/C(Cc1c(COc2ccc(Cl)cc2)n(C)c2ccccc12)=N\OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.47
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ABCB1 P08183 2/20 0.39
ELANE P08246 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCL2 P10415 1/20 0.37
MCL1 Q07820 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL7949021 1.00 NPY1R (0.47) NPY1RALDH1A1MAPTHPGDKDM4E
SCHEMBL7959662 0.91 NPY1R (0.49) NPY1RALDH1A1MAPTHPGDKDM4E
SCHEMBL7959664 0.91 NPY1R (0.49) NPY1RALDH1A1MAPTHPGDKDM4E
SCHEMBL7949130 0.89 NPY1R (0.49) NPY1RALDH1A1KDM4EABCB1ELANE
SCHEMBL7949127 0.87 NPY1R (0.48) NPY1RALDH1A1KDM4EABCB1L3MBTL1
SCHEMBL7959920 0.87 NPY1R (0.52) NPY1RALDH1A1MAPTHPGDKDM4E
SCHEMBL7959915 0.87 NPY1R (0.52) NPY1RALDH1A1MAPTHPGDKDM4E
SCHEMBL7957111 0.80 NPY1R (0.56) NPY1RALDH1A1HPGDKDM4EABCB1
SCHEMBL7963655 0.75 NPY1R (0.60) NPY1RMAPTKDM4EELANEL3MBTL1
SCHEMBL7948980 0.74 NPY1R (0.54) NPY1RALDH1A1MAPTHPGDKDM4E

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 4 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
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