SCHEMBL7963527

SCHEMBL7963527

CN1CCC(N(C)C(O)Cc2c(COc3ccc(Cl)cc3Cl)n(C)c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 0.57
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
XBP1 P17861 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
F8 P00451 1/20 0.35
F5 P12259 1/20 0.35

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
SCHEMBL7958730 0.83 NPY1R (0.60) NPY1RHPGDUSP2HTR2CHTR2B
SCHEMBL7956690 0.81 NPY1R (0.51) NPY1RHPGDUSP2SLC6A5HTR2C
SCHEMBL7957048 0.80 NPY1R (0.76) NPY1R
SCHEMBL7959581 0.79 NPY1R (0.68) NPY1R
SCHEMBL7957231 0.78 NPY1R (0.51) NPY1RHPGDUSP2SLC6A5XBP1
SCHEMBL7958905 0.73 NPY1R (0.60) NPY1RHPGDUSP2XBP1MEN1
Hydrochloric Acid SCHEMBL7959693 0.72 NPY1R (0.98) NPY1RXBP1ALDH1A1KMT2AF8
Hydrochloric Acid SCHEMBL7956631 0.71 NPY1R (0.63) NPY1R
SCHEMBL7958563 0.71 NPY1R (0.82) NPY1RXBP1
SCHEMBL7963665 0.71 NPY1R (0.77) NPY1RF8F5

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