SCHEMBL6897903

SCHEMBL6897903

NCCC[C@H](C(=O)Nc1ncc[nH]1)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.36
▸ NPY1R P25929 5/20 0.36
▸ FFAR2 O15552 1/20 0.34
▸ NPFFR1 Q9GZQ6 2/20 0.33
▸ NPFFR2 Q9Y5X5 2/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL7750605 0.82 NPY1R (0.33) EPORNPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8126683 0.80 EPOR (0.41) EPORNPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8126608 0.79 TDP1 (0.41) EPORNPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8112600 0.76 ITGB3 (0.33) EPORCNR1
SCHEMBL8119409 0.76 EPOR (0.43) EPORNPY1RNPFFR1NPFFR2NPY5R
Hydrochloric Acid SCHEMBL8120628 0.74 EPOR (0.41) EPORNPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8112776 0.74 EPOR (0.41) EPORCNR1CNR2
SCHEMBL8119581 0.74 NPY1R (0.40) EPORNPY1RNPFFR1NPFFR2NPY5R
Iodide SCHEMBL8585363 0.73 NPY1R (0.37) NPY1RNPY5R
SCHEMBL7751629 0.73 NR1H3 (0.40) EPORCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029953-A1 Use of neuropeptide-y antagonists in treatment of alcoholism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-12 — — US disclosed
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