SCHEMBL8554095

SCHEMBL8554095

CCOC(=O)CCCN1CCC(CCCc2ccc3[nH]c(COc4ccc(Cl)cc4)nc3c2C)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 17/20 0.58
BCHE P06276 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
HTR4 Q13639 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
SCHEMBL8556171 0.88 NPY1R (0.45) NPY1RBCHEMAOAACHEMAOB
SCHEMBL8555811 0.88 NPY1R (0.49) NPY1R
SCHEMBL8554479 0.88 NPY1R (0.45) NPY1R
SCHEMBL8552595 0.87 RAB9A (0.42) NPY1R
SCHEMBL8551322 0.84 NPY1R (0.57) NPY1R
SCHEMBL8553315 0.84 NPY1R (0.54) NPY1R
SCHEMBL8554433 0.83 NPY1R (0.47) NPY1RBCHEMAOAACHEMAOB
SCHEMBL8551903 0.82 NPY1R (0.54) NPY1RBCHEMAOAACHEMAOB
SCHEMBL8555678 0.82 NPY1R (0.45) NPY1RBCHEMAOAACHEMAOB
SCHEMBL8555618 0.82 NPY1R (0.46) NPY1RBCHEACHE

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