SCHEMBL1388704

SCHEMBL1388704

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.42
▸ NPY1R P25929 13/20 0.41
▸ NPY4R P50391 10/20 0.41
▸ NPY5R Q15761 6/20 0.41
▸ NPY2R P49146 3/20 0.41
▸ MC4R P32245 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ NPFFR1 Q9GZQ6 2/20 0.39
▸ NPFFR2 Q9Y5X5 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 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
SCHEMBL7750672 0.85 NPY1R (0.51) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL1388701 0.85 NPY1R (0.51) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL5057899 0.83 NPY1R (0.53) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL1388761 0.81 NPY1R (0.51) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL8118603 0.78 NPY1R (0.52) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL9161634 0.78 TLR2 (0.54) TLR2MC4RMC3RMC1R
SCHEMBL3442919 0.78 TLR2 (0.54) TLR2MC4RMC3RMC1R
SCHEMBL4653106 0.77 TP53 (0.44) NPY1RNPY4RNPY5RNPY2RNPFFR1
SCHEMBL8111984 0.76 NPY1R (0.56) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL30396736 0.75 TLR2 (0.51) TLR2NPY1RNPY4RNPY5RNPY2R

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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