SCHEMBL7963470

SCHEMBL7963470

CN(C)CCCNC(=O)Cc1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
MAPT P10636 1/20 0.55
NPY1R P25929 6/20 0.51
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 4/20 0.40
PTGS1 P23219 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL7957083 0.83 NPY1R (0.54) KDM4EMAPTNPY1RCYP1A2SMN1; SMN2
SCHEMBL7960741 0.83 NPY1R (0.58) KDM4EMAPTNPY1RMEN1KMT2A
SCHEMBL7960769 0.80 NPY1R (0.53) KDM4EMAPTNPY1RCYP1A2MEN1
SCHEMBL7957061 0.78 NPY1R (0.54) KDM4EMAPTNPY1RCYP1A2HSD17B10
Hydrochloric Acid SCHEMBL7960173 0.78 NPY1R (0.59) KDM4ENPY1RMEN1KMT2A
SCHEMBL7956731 0.78 NPY1R (0.65) KDM4ENPY1RHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL7957055 0.77 NPY1R (0.55) KDM4EMAPTNPY1RHSD17B10MEN1
SCHEMBL8801207 0.76 NPY1R (0.56) NPY1R
SCHEMBL7949157 0.76 NPY1R (0.56) KDM4ENPY1RHSD17B10
Hydrochloric Acid SCHEMBL7948522 0.75 NPY1R (0.55) MAPTNPY1RHSD17B10

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