SCHEMBL7957083

SCHEMBL7957083

CN(C)CCCNC(=O)C(=O)c1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.54
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 1/20 0.43
OPRK1 P41145 1/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7960769 0.96 NPY1R (0.53) NPY1RKDM4ECYP1A2OPRK1EGFR
Hydrochloric Acid SCHEMBL7957055 0.94 NPY1R (0.55) NPY1RKDM4EOPRK1EGFRSRC
SCHEMBL7963325 0.89 NPY1R (0.54) NPY1RKDM4EOPRK1MEN1KMT2A
SCHEMBL7957061 0.85 NPY1R (0.54) NPY1RKDM4ECYP1A2EGFRSRC
SCHEMBL8801207 0.85 NPY1R (0.56) NPY1R
SCHEMBL7949157 0.85 NPY1R (0.56) NPY1RKDM4EALDH1A1HSD17B10
SCHEMBL7959155 0.85 NPY1R (0.50) NPY1ROPRK1MAPTSMN1; SMN2
SCHEMBL7959706 0.84 NPY1R (0.55) NPY1RKDM4ECYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL7948522 0.84 NPY1R (0.55) NPY1RMAPTALDH1A1HSD17B10
SCHEMBL7959480 0.84 NPY1R (0.51) NPY1RMEN1KMT2AATMALDH1A1

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