SCHEMBL7963653

SCHEMBL7963653

Cn1c(COc2ccc(Cl)cc2)c(CCN2CCC(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.72
DRD4 P21917 1/20 0.50
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CCR3 P51677 1/20 0.47
SLC6A4 P31645 2/20 0.47
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.46

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
SCHEMBL7960131 0.87 NPY1R (0.79) NPY1RSIGMAR1
SCHEMBL7956966 0.85 NPY1R (0.74) NPY1R
SCHEMBL7959923 0.84 NPY1R (1.00) NPY1R
SCHEMBL7959225 0.83 NPY1R (1.00) NPY1R
SCHEMBL7960764 0.82 DRD4 (0.59) NPY1RDRD4ALDH1A1
SCHEMBL7958870 0.81 NPY1R (0.86) NPY1RTMEM97SIGMAR1
SCHEMBL7958711 0.79 NPY1R (0.66) NPY1RSIGMAR1
Hydrochloric Acid SCHEMBL7960187 0.79 NPY1R (0.80) NPY1RSIGMAR1ALDH1A1
SCHEMBL7959104 0.78 NPY1R (0.73) NPY1RDRD4SLC6A2
SCHEMBL7956835 0.78 NPY1R (0.78) NPY1RSIGMAR1ALDH1A1

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