SCHEMBL13445658

SCHEMBL13445658

N=C(N)NCCCC(NC(=O)C(CCCCN)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.58
▸ NPY1R P25929 8/20 0.58
▸ NPY2R P49146 6/20 0.58
▸ NPY5R Q15761 6/20 0.58
▸ OPRM1 P35372 1/20 0.50

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
SCHEMBL29641095 0.93 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29641040 0.93 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL22133073 0.93 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL31694494 0.93 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29641042 0.93 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29641130 0.93 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29461999 0.92 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL30420577 0.92 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29641110 0.92 NPY4R (0.68) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29641039 0.92 NPY4R (0.68) NPY4RNPY1RNPY2RNPY5R

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
WO-2010042638-A2 HPMA - DOCETAXEL OR GEMCITABINE CONJUGATES AND USES THEREFORE LEE YOUNG BOK (US) 2010-04-15 — — WO disclosed
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