SCHEMBL8555618

SCHEMBL8555618

Cc1c(CCCC2CCN(CCCc3c[nH]c4ccccc34)CC2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 7/20 0.46
HTR1A P08908 5/20 0.46
SLC6A4 P31645 3/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
KCNH2 Q12809 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 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
SCHEMBL8551322 0.86 NPY1R (0.57) NPY1RHTR1ASLC6A4DRD2DRD4
SCHEMBL8553315 0.86 NPY1R (0.54) NPY1R
SCHEMBL8551903 0.85 NPY1R (0.54) NPY1RDRD2DRD4BCHEACHE
SCHEMBL8555811 0.83 NPY1R (0.49) NPY1RHTR1ASLC6A4
SCHEMBL8551574 0.83 NPY1R (0.45) NPY1RHTR1ASLC6A4
SCHEMBL8554095 0.82 NPY1R (0.58) NPY1RBCHEACHE
SCHEMBL8554433 0.81 NPY1R (0.47) NPY1RBCHEACHE
SCHEMBL8555679 0.80 NPY1R (0.54) NPY1R
SCHEMBL8555678 0.80 NPY1R (0.45) NPY1RBCHEACHE
SCHEMBL8554215 0.79 NPY1R (0.49) NPY1RSLC6A4

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