SCHEMBL9201067

SCHEMBL9201067

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.41
▸ NPY1R P25929 8/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ NPY5R Q15761 5/20 0.41
▸ KIF11 P52732 2/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL8120108 0.82 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RCNR1
SCHEMBL7750681 0.82 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RCNR1
SCHEMBL4650866 0.81 NPY1R (0.42) NPY4RNPY1RNPY2RNPY5RCNR1
SCHEMBL8123562 0.79 NPY4R (0.36) NPY4RNPY1RNPY2RNPY5R
SCHEMBL1389117 0.77 CNR1 (0.41) NPY4RNPY1RNPY2RNPY5RCNR1
SCHEMBL1388355 0.75 TDP1 (0.37) NPY4RNPY1RNPY2RNPY5RKIF11
SCHEMBL4651752 0.75 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5R
SCHEMBL8118604 0.74 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9200886 0.74 TPSAB1 (0.39) NPY4RNPY1RNPY2RNPY5RCNR1
SCHEMBL9202531 0.73 MEN1 (0.38) NPY4RNPY1RNPY2RNPY5RCNR1

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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