SCHEMBL1388313

SCHEMBL1388313

N=C(N)NCCC[C@H](NCc1ccc(CC=O)cc1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 11/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ NPY4R P50391 2/20 0.43
▸ NPY5R Q15761 2/20 0.43
▸ NPFFR1 Q9GZQ6 2/20 0.42
▸ NPFFR2 Q9Y5X5 2/20 0.42
▸ MC4R P32245 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 1/20 0.41
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL5057899 0.91 NPY1R (0.53) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL1388761 0.88 NPY1R (0.51) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL4651777 0.87 CNR1 (0.48) NPY1RTLR2NPY4RNPY5RMC4R
SCHEMBL8122927 0.85 NPY1R (0.42) NPY1RTLR2NPY4RNPY5RNPFFR1
SCHEMBL8528706 0.85 TMPRSS11D (0.43) NPY1RTLR2NPY4RNPY5R
SCHEMBL4650707 0.84 NPY1R (0.43) NPY1RTLR2NPY4RNPY5RNPFFR1
SCHEMBL4651114 0.84 NPY1R (0.45) NPY1RTLR2NPY4RNPY5RNPFFR1
SCHEMBL8126877 0.83 POLB (0.40) NPY1RCNR1
SCHEMBL8119401 0.83 CNR1 (0.48) NPY1RCNR1
SCHEMBL8120358 0.83 CNR1 (0.51) CNR1

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
JP-H08505862-A — — 1996-06-25 — — JP claimed
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