SCHEMBL7963219

SCHEMBL7963219

Cn1c(COc2ccc(Cl)cc2)c(C(=O)C(=O)N2CCC(C(N)=O)CC2)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.75
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AHR P35869 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7949187 0.90 NPY1R (0.79) NPY1RALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7958736 0.90 NPY1R (0.71) NPY1RALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL8802019 0.88 NPY1R (0.71) NPY1RALDH1A1SMN1; SMN2HSD17B10KMT2A
SCHEMBL7956724 0.87 NPY1R (0.75) NPY1RKMT2A
SCHEMBL7956905 0.87 NPY1R (0.83) NPY1RALDH1A1NPC1RAB9AKMT2A
SCHEMBL7959104 0.86 NPY1R (0.73) NPY1RSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7963164 0.86 NPY1R (1.00) NPY1RSMN1; SMN2KMT2A
SCHEMBL7958925 0.85 NPY1R (0.71) NPY1RKMT2AKDM4EL3MBTL1
SCHEMBL7959050 0.84 NPY1R (0.87) NPY1RSMN1; SMN2KMT2AKDM4E
SCHEMBL7957137 0.83 NPY1R (0.69) NPY1RALDH1A1KMT2AKDM4EL3MBTL1

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