SCHEMBL7949040

SCHEMBL7949040

O=C(CN1CCC(N2CCCCC2)CC1)c1c(COc2ccc(Cl)cc2)n(CCCC2CCNCC2)c2ccccc12

nearest known ligand 0.91

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 19/20 0.91
HRH3 Q9Y5N1 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
SCHEMBL7959094 0.95 NPY1R (1.00) NPY1RHRH3
SCHEMBL7960877 0.92 NPY1R (1.00) NPY1R
SCHEMBL7959195 0.92 NPY1R (1.00) NPY1R
SCHEMBL7963206 0.92 NPY1R (1.00) NPY1R
SCHEMBL7957157 0.88 NPY1R (0.92) NPY1R
SCHEMBL7949104 0.86 NPY1R (0.73) NPY1RHRH3
SCHEMBL7960575 0.86 NPY1R (0.82) NPY1RHRH3
SCHEMBL7960770 0.84 NPY1R (0.65) NPY1R
SCHEMBL7963329 0.83 NPY1R (1.00) NPY1RHRH3
Hydrochloric Acid SCHEMBL7959234 0.83 NPY1R (0.98) 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