SCHEMBL8556872

SCHEMBL8556872

COC(=O)c1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1CCCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 11/20 0.44
DHODH Q02127 1/20 0.39
DGAT2 Q96PD7 1/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGES O14684 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
SCHEMBL8555610 0.83 NPY1R (0.42) NPY1RDHODHDGAT2ITGB3ITGA2B
SCHEMBL8554215 0.82 NPY1R (0.49) NPY1RDHODHDGAT2NPC1POLB
Trifluoroacetic Acid SCHEMBL8552526 0.79 NPY1R (0.41) NPY1RDHODHDGAT2ITGB3ITGA2B
SCHEMBL8553502 0.79 NPY1R (0.48) NPY1RDHODHDGAT2ITGB3ITGA2B
SCHEMBL8552622 0.78 NPY1R (0.49) NPY1RDHODHITGB3ITGA2BNPC1
SCHEMBL8550284 0.78 NPY1R (0.47) NPY1RDHODHDGAT2ITGB3ITGA2B
SCHEMBL8554991 0.78 NPY1R (0.42) NPY1RDGAT2NPC1POLBRAB9A
SCHEMBL8553471 0.78 NPY1R (0.46) NPY1R
SCHEMBL8556235 0.77 NPY1R (0.48) NPY1RDHODHNPC1POLBRAB9A
Trifluoroacetic Acid SCHEMBL8552866 0.76 NPY1R (0.48) 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