SCHEMBL9195693

SCHEMBL9195693

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 11/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
NPY5R Q15761 7/20 0.39
NPFFR1 Q9GZQ6 2/20 0.39
NPFFR2 Q9Y5X5 2/20 0.39
NPY4R P50391 6/20 0.37
NPY2R P49146 3/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1593414 0.94 NPY1R (0.42) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL9200838 0.93 CNR1 (0.42) NPY1RCNR1CNR2TDP1
SCHEMBL4650863 0.91 NPY1R (0.40) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL8126197 0.91 NPY1R (0.43) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL7753050 0.91 NPY1R (0.43) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL9196217 0.91 MEN1 (0.42) CNR1CNR2TDP1
SCHEMBL9201122 0.91 TDP1 (0.48) CNR1TDP1
SCHEMBL9199526 0.91 CNR1 (0.43) NPY1RCNR1CNR2NPY5RNPY2R
SCHEMBL8127029 0.90 NPY1R (0.41) NPY1RCNR1CNR2NPY5RNPFFR1
SCHEMBL9201137 0.90 NPY1R (0.42) NPY1RCNR1CNR2NPY5RNPFFR1

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