SCHEMBL3817640

SCHEMBL3817640

CC(N[C@H](CCCNC(=N)N)C(=O)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 16/20 0.51
▸ NPY5R Q15761 6/20 0.51
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ NPFFR1 Q9GZQ6 2/20 0.42
▸ NPFFR2 Q9Y5X5 2/20 0.42
▸ NPY4R P50391 4/20 0.42
▸ NPY2R P49146 3/20 0.42

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
SCHEMBL1593464 0.85 NPY1R (0.70) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL28032820 0.85 NPY1R (0.70) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL7596174 0.84 NPY4R (0.46) NPY1RNPY5RNPY4RNPY2R
SCHEMBL7596179 0.84 NPY4R (0.46) NPY1RNPY5RNPY4RNPY2R
SCHEMBL8612664 0.83 CNR1 (0.44) NPY1RNPY5RCNR1CNR2
SCHEMBL5057899 0.83 NPY1R (0.53) NPY1RNPY5RNPFFR1NPFFR2NPY4R
SCHEMBL28745902 0.83 NPY4R (0.51) NPY1RNPY5RNPY4RNPY2R
SCHEMBL4652031 0.82 NPY1R (0.48) NPY1RNPY5RCNR1CNR2NPFFR1
SCHEMBL8068044 0.81 CNR1 (0.41) NPY1RNPY5RCNR1CNR2NPY4R
SCHEMBL1388761 0.80 NPY1R (0.51) NPY1RNPY5RNPFFR1NPFFR2NPY4R

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-2089383-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES Probiodrug AG (DE) 2009-08-19 — — EP disclosed
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 — — WO disclosed
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