SCHEMBL7960769

SCHEMBL7960769

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.53
OPRK1 P41145 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
NAMPT P43490 1/20 0.39
DNM1 Q05193 3/20 0.38
DNM2 P50570 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL7957083 0.96 NPY1R (0.54) NPY1ROPRK1EGFRSRCKDM4E
Hydrochloric Acid SCHEMBL7957055 0.92 NPY1R (0.55) NPY1ROPRK1EGFRSRCKDM4E
SCHEMBL7963325 0.87 NPY1R (0.54) NPY1ROPRK1KDM4EMEN1KMT2A
SCHEMBL7957061 0.84 NPY1R (0.54) NPY1REGFRSRCKDM4ECYP1A2
SCHEMBL8801207 0.83 NPY1R (0.56) NPY1R
SCHEMBL7949157 0.83 NPY1R (0.56) NPY1RKDM4E
SCHEMBL7959155 0.83 NPY1R (0.50) NPY1ROPRK1MAPT
SCHEMBL7959706 0.83 NPY1R (0.55) NPY1RKDM4ECYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL7948522 0.83 NPY1R (0.55) NPY1RMAPT
SCHEMBL8803246 0.82 NPY1R (0.49) NPY1ROPRK1MEN1KMT2AMAPT

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