SCHEMBL8551903

SCHEMBL8551903

Cc1c(CCCC2CCN(Cc3ccccc3)CC2)ccc2[nH]c(COc3ccc(Cl)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.54
BCHE P06276 6/20 0.46
ACHE P22303 6/20 0.46
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
FAAH O00519 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 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 0.94 NPY1R (0.57) NPY1RDRD2DRD4
SCHEMBL8553315 0.91 NPY1R (0.54) NPY1R
SCHEMBL8554433 0.88 NPY1R (0.47) NPY1RBCHEACHEMAOAMAOB
SCHEMBL8555678 0.86 NPY1R (0.45) NPY1RBCHEACHEMAOAMAOB
SCHEMBL8551574 0.86 NPY1R (0.45) NPY1R
SCHEMBL8555811 0.86 NPY1R (0.49) NPY1R
SCHEMBL8555618 0.85 NPY1R (0.46) NPY1RBCHEACHEDRD2DRD4
SCHEMBL8554215 0.84 NPY1R (0.49) NPY1R
SCHEMBL8555679 0.83 NPY1R (0.54) NPY1R
SCHEMBL8554479 0.83 NPY1R (0.45) NPY1RFAAH

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