SCHEMBL7960741

SCHEMBL7960741

CN(C)CCCNCCc1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.58
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
HTR5A P47898 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HTR6 P50406 1/20 0.36

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
Hydrochloric Acid SCHEMBL7960173 0.85 NPY1R (0.59) NPY1RMEN1KMT2ATSHRHTR5A
SCHEMBL7963470 0.83 KDM4E (0.55) NPY1RMEN1KMT2AKDM4EMAPT
SCHEMBL7956731 0.81 NPY1R (0.65) NPY1RMEN1KMT2ATSHRHTR5A
SCHEMBL7963645 0.78 NPY1R (0.70) NPY1RMEN1KMT2ATSHRHTR5A
Hydrochloric Acid SCHEMBL7956816 0.78 NPY1R (0.58) NPY1RMEN1KMT2ATSHRKDM4E
SCHEMBL7957083 0.77 NPY1R (0.54) NPY1RMEN1KMT2AATMKDM4E
SCHEMBL7963340 0.76 NPY1R (0.57) NPY1RMEN1KMT2ATSHRHTR5A
SCHEMBL7948979 0.76 NPY1R (0.67) NPY1RMEN1KMT2ATSHRHTR5A
SCHEMBL7959769 0.75 NPY1R (0.62) NPY1RMEN1KMT2ATSHRKDM4E
SCHEMBL7957061 0.75 NPY1R (0.54) NPY1RMEN1KMT2ATSHRATM

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