SCHEMBL7956916

SCHEMBL7956916

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 6/20 0.57
UTS2R Q9UKP6 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL7949157 0.94 NPY1R (0.56) NPY1RALDH1A1HSD17B10KDM4EALOX15
Hydrochloric Acid SCHEMBL7948522 0.93 NPY1R (0.55) NPY1RALDH1A1HSD17B10MAPT
SCHEMBL8801207 0.88 NPY1R (0.56) NPY1R
SCHEMBL7959480 0.84 NPY1R (0.51) NPY1RALDH1A1MEN1KMT2A
SCHEMBL7959706 0.83 NPY1R (0.55) NPY1RALDH1A1HSD17B10KDM4ETSHR
Hydrochloric Acid SCHEMBL7957055 0.83 NPY1R (0.55) NPY1RALDH1A1HSD17B10KDM4EMEN1
SCHEMBL7958788 0.83 NPY1R (0.62) NPY1RALDH1A1KDM4EALOX15TSHR
SCHEMBL7949133 0.83 NPY1R (0.65) NPY1RALDH1A1HSD17B10KDM4EALOX15
SCHEMBL7957061 0.83 NPY1R (0.54) NPY1RUTS2RALDH1A1HSD17B10KDM4E
SCHEMBL7957083 0.83 NPY1R (0.54) NPY1RALDH1A1HSD17B10KDM4EMEN1

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 1 patent. 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