SCHEMBL7958563

SCHEMBL7958563

Cn1c(COc2ccc(Cl)cc2Cl)c(CN2CCC(N3CCCCC3)CC2)c2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 15/20 0.82
HRH3 Q9Y5N1 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
XBP1 P17861 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
SCHEMBL7963665 0.92 NPY1R (0.77) NPY1RHRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL7957029 0.92 NPY1R (0.69) NPY1RHRH3
Hydrochloric Acid SCHEMBL7959693 0.90 NPY1R (0.98) NPY1RSMN1; SMN2XBP1
SCHEMBL7958627 0.87 NPY1R (1.00) NPY1RHRH3
SCHEMBL7957048 0.85 NPY1R (0.76) NPY1R
SCHEMBL7959107 0.83 NPY1R (0.85) NPY1RSMN1; SMN2
Hydrochloric Acid SCHEMBL7957006 0.82 NPY1R (0.83) NPY1RSMN1; SMN2
SCHEMBL7958759 0.80 NPY1R (0.86) NPY1RHRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL7959342 0.80 NPY1R (0.79) NPY1RSMN1; SMN2
SCHEMBL7959225 0.79 NPY1R (1.00) NPY1RHRH3

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