SCHEMBL7948983

SCHEMBL7948983

CC(=O)NC1CCCN1CC(O)c1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.49
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.36
LTA4H P09960 3/20 0.35
PLA2G4A P47712 1/20 0.35
HTR5A P47898 1/20 0.34

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
SCHEMBL7948981 0.84 NPY1R (0.51) NPY1RALDH1A1MAPTLTA4H
SCHEMBL7959504 0.79 NPY1R (0.66) NPY1RALDH1A1MAPTHTR5A
SCHEMBL7956848 0.78 NPY1R (0.53) NPY1RALDH1A1MAPT
SCHEMBL7959215 0.76 NPY1R (0.60) NPY1RALDH1A1MAPT
SCHEMBL7963031 0.76 NPY1R (0.51) NPY1RALDH1A1MAPTHTR5A
SCHEMBL7956729 0.76 NPY1R (0.48) NPY1RALDH1A1MAPTHTR5A
Hydrochloric Acid SCHEMBL7963649 0.76 NPY1R (0.69) NPY1RALDH1A1MAPT
SCHEMBL7960764 0.75 DRD4 (0.59) NPY1RALDH1A1MAPTTP53
SCHEMBL27552149 0.72 NPY1R (0.47) NPY1RALDH1A1MAPTTP53LTA4H
SCHEMBL7959128 0.72 NPY1R (0.71) NPY1RTP53

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