SCHEMBL8555754

SCHEMBL8555754

CC(C)Oc1c(CCCC2CCN(CCCc3ccccc3)CC2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 14/20 0.52
HRH3 Q9Y5N1 1/20 0.39
LTA4H P09960 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
SCHEMBL8555679 0.92 NPY1R (0.54) NPY1RHRH3LTA4H
SCHEMBL8553315 0.86 NPY1R (0.54) NPY1RHRH3
SCHEMBL8552856 0.85 NPY1R (0.52) NPY1RHRH3LTA4H
SCHEMBL8551322 0.85 NPY1R (0.57) NPY1R
SCHEMBL8551903 0.82 NPY1R (0.54) NPY1R
Trifluoroacetic Acid SCHEMBL8552932 0.79 NPY1R (0.39) NPY1R
Trifluoroacetic Acid SCHEMBL8555305 0.79 PRMT5 (0.40) NPY1R
SCHEMBL8555678 0.78 NPY1R (0.45) NPY1R
SCHEMBL8553571 0.78 NPY1R (0.45) NPY1R
SCHEMBL8555618 0.78 NPY1R (0.46) NPY1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed