SCHEMBL1389094

SCHEMBL1389094

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPY1R P25929 7/20 0.36
NPFFR1 Q9GZQ6 2/20 0.36
NPFFR2 Q9Y5X5 2/20 0.36
NPY5R Q15761 1/20 0.36
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
NPY4R P50391 1/20 0.32

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
SCHEMBL9201917 0.88 EPHX1 (0.45) TDP1MEN1KMT2ACNR1CNR2
SCHEMBL7750469 0.87 TDP1 (0.38) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL8126608 0.87 TDP1 (0.41) TDP1MEN1KMT2ANPY1RNPFFR1
Hydrochloric Acid SCHEMBL8120018 0.86 TDP1 (0.37) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL8119409 0.86 EPOR (0.43) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL1593414 0.85 NPY1R (0.42) TDP1NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8126197 0.85 NPY1R (0.43) TDP1NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL7753050 0.85 NPY1R (0.43) TDP1NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL7038181 0.85 TDP1 (0.43) TDP1MEN1KMT2ANPY1RNPFFR1
Hydrochloric Acid SCHEMBL8120628 0.84 EPOR (0.41) TDP1MEN1KMT2ANPY1RNPFFR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08505862-A 1996-06-25 JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO claimed
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