SCHEMBL7043232

SCHEMBL7043232

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
NPY1R P25929 9/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
NPY5R Q15761 2/20 0.38
MTOR P42345 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL8119315 0.89 NPY1R (0.42) TDP1NPY1RMEN1KMT2ACNR1
SCHEMBL8527836 0.89 NPY1R (0.43) TDP1HTR2AHRH1NPY1RMEN1
SCHEMBL8585368 0.88 NPY1R (0.40) TDP1HTR2AHRH1NPY1RMEN1
SCHEMBL1593414 0.88 NPY1R (0.42) TDP1NPY1RCNR1CNR2NPFFR1
SCHEMBL8126608 0.87 TDP1 (0.41) TDP1HTR2AHRH1NPY1RMEN1
SCHEMBL8112100 0.86 TDP1 (0.44) TDP1HTR2AHRH1NPY1RMEN1
SCHEMBL8119409 0.86 EPOR (0.43) TDP1NPY1RMEN1KMT2ACNR1
SCHEMBL4650863 0.85 NPY1R (0.40) NPY1RCNR1CNR2NPFFR1NPFFR2
SCHEMBL8126197 0.85 NPY1R (0.43) TDP1NPY1RCNR1CNR2NPFFR1
SCHEMBL7753050 0.85 NPY1R (0.43) TDP1NPY1RCNR1CNR2NPFFR1

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-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
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed