SCHEMBL6901908

SCHEMBL6901908

COC(=O)COc1ccc(C(C(=O)N(Cc2ccc(CNC(N)=O)cc2)[C@H](CCCNC(=N)N)C(N)=O)c2ccc(OCC(=O)OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
ADRB3 P13945 1/20 0.33
MAPT P10636 1/20 0.33
EPOR P19235 4/20 0.32
NPY1R P25929 2/20 0.32
NPY4R P50391 2/20 0.32
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LSS P48449 1/20 0.31
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL8528025 0.97 NPY4R (0.34) KMT2AMEN1POLBL3MBTL1ADRB3
SCHEMBL6901717 0.92 EPOR (0.35) EPORNPY1RNPY4RNPY5RALDH1A1
SCHEMBL7043493 0.91 MEN1 (0.35) KMT2AMEN1POLBL3MBTL1EPOR
SCHEMBL6900020 0.91 CASR (0.38) KMT2AMEN1GAAALDH1A1SMN1; SMN2
SCHEMBL7036782 0.85 EPOR (0.36) KMT2AMEN1EPORNPY1RNPY4R
SCHEMBL6898240 0.85 NPY1R (0.38) NPY1RNPY4RNPY5R
SCHEMBL6898666 0.84 CYP2C9 (0.45) KMT2AMEN1POLBNPY1RNPY4R
SCHEMBL6898966 0.84 TDP1 (0.36) KMT2ANPY1RNPY4RNPY5RLMNA
SCHEMBL7059809 0.84 NPY1R (0.42) KMT2AMEN1POLBNPY1RNPY4R
SCHEMBL6899868 0.84 NPY1R (0.42) KMT2AMEN1POLBNPY1RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP claimed
EP-1337257-A4 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM UNIV CALIFORNIA (US) 2004-04-07 EP disclosed
EP-1337257-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM The Regents of the University of California (US) 2003-08-27 EP disclosed
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed
WO-2002028393-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-11 WO disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed