SCHEMBL7959587

SCHEMBL7959587

O=C(C(=O)N1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCN2CCCCC2)c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 16/20 0.80
HRH3 Q9Y5N1 2/20 0.48
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7963164 0.89 NPY1R (1.00) NPY1RHRH3ACHESMN1; SMN2
SCHEMBL7959050 0.82 NPY1R (0.87) NPY1RHRH3SMN1; SMN2
SCHEMBL7963501 0.82 NPY1R (1.00) NPY1RHRH3
SCHEMBL7957128 0.80 NPY1R (0.84) NPY1RHRH3ACHESMN1; SMN2
SCHEMBL7956905 0.79 NPY1R (0.83) NPY1R
SCHEMBL7949187 0.77 NPY1R (0.79) NPY1RHRH3SMN1; SMN2
SCHEMBL7963329 0.77 NPY1R (1.00) NPY1RHRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL7959234 0.76 NPY1R (0.98) NPY1RHRH3SMN1; SMN2
SCHEMBL7959094 0.76 NPY1R (1.00) NPY1RHRH3
SCHEMBL7949040 0.75 NPY1R (0.91) 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