SCHEMBL7958730

SCHEMBL7958730

CN1CCC(N(C)CCc2c(COc3ccc(Cl)cc3Cl)n(C)c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 0.60
NOS3 P29474 3/20 0.39
NOS1 P29475 3/20 0.39
NOS2 P35228 3/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
XBP1 P17861 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7959581 0.85 NPY1R (0.68) NPY1R
SCHEMBL7963527 0.83 NPY1R (0.57) NPY1RHTR2CHTR2BXBP1USP2
SCHEMBL7957048 0.82 NPY1R (0.76) NPY1R
SCHEMBL7956690 0.82 NPY1R (0.51) NPY1RNOS3NOS1NOS2HTR2C
SCHEMBL7957231 0.78 NPY1R (0.51) NPY1RXBP1USP2HPGD
SCHEMBL7963665 0.76 NPY1R (0.77) NPY1R
Hydrochloric Acid SCHEMBL7959693 0.74 NPY1R (0.98) NPY1RXBP1
SCHEMBL7958905 0.74 NPY1R (0.60) NPY1RXBP1USP2HPGD
Hydrochloric Acid SCHEMBL7956631 0.73 NPY1R (0.63) NPY1R
SCHEMBL7958563 0.73 NPY1R (0.82) NPY1RXBP1

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 4 patents. 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
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed