SCHEMBL7948835

SCHEMBL7948835

Cn1c(CNc2ccc(Cl)cc2Cl)c(CN2CCCCC2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.66
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CACNA1G O43497 2/20 0.37
POLB P06746 2/20 0.37
HTR6 P50406 1/20 0.37
MEN1 O00255 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
SCHEMBL7957280 0.85 NPY1R (0.66) NPY1RALDH1A1TSHRHSD17B10LMNA
SCHEMBL7959187 0.80 NPY1R (0.56) NPY1RALDH1A1ATMKMT2AKDM4E
Hydrochloric Acid SCHEMBL7963356 0.78 NPY1R (0.64) NPY1RALDH1A1TSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL7959693 0.78 NPY1R (0.98) NPY1RALDH1A1TSHRHSD17B10KMT2A
SCHEMBL7959107 0.77 NPY1R (0.85) NPY1RALDH1A1TSHRHSD17B10
SCHEMBL7963648 0.77 NPY1R (0.53) NPY1RALDH1A1TSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL7959636 0.76 NPY1R (0.62) NPY1RALDH1A1TSHRHSD17B10LMNA
Hydrochloric Acid SCHEMBL7958663 0.75 NPY1R (0.67) NPY1RALDH1A1TSHRHSD17B10LMNA
SCHEMBL7963425 0.74 NPY1R (1.00) NPY1RALDH1A1TSHRHSD17B10
SCHEMBL7960784 0.73 NPY1R (0.54) NPY1RALDH1A1TSHRHSD17B10LMNA

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