SCHEMBL7960764

SCHEMBL7960764

Cn1c(COc2ccc(Cl)cc2)c(C(O)CN2CCC(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.59
MAPT P10636 1/20 0.57
ALOX12 P18054 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPY1R P25929 6/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7956848 0.88 NPY1R (0.53) MAPTNPY1RMEN1KMT2AALDH1A1
SCHEMBL7963031 0.86 NPY1R (0.51) DRD4MAPTALOX12L3MBTL1NPY1R
SCHEMBL7959504 0.85 NPY1R (0.66) MAPTL3MBTL1NPY1RTSHRALDH1A1
Hydrochloric Acid SCHEMBL7963649 0.83 NPY1R (0.69) MAPTNPY1RALDH1A1
SCHEMBL7959215 0.82 NPY1R (0.60) MAPTALOX12L3MBTL1NPY1RTSHR
SCHEMBL7963653 0.82 NPY1R (0.72) DRD4NPY1RALDH1A1
SCHEMBL7948981 0.80 NPY1R (0.51) MAPTNPY1RALDH1A1
SCHEMBL7959104 0.77 NPY1R (0.73) DRD4MAPTL3MBTL1NPY1RMEN1
SCHEMBL7960356 0.76 NPY1R (0.50) NPY1R
SCHEMBL7948983 0.75 NPY1R (0.49) MAPTNPY1RTP53ALDH1A1

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