SCHEMBL8119409

SCHEMBL8119409

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPOR P19235 3/20 0.43
NPY1R P25929 6/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPFFR1 Q9GZQ6 2/20 0.37
NPFFR2 Q9Y5X5 2/20 0.37
NPY5R Q15761 1/20 0.37
MC4R P32245 3/20 0.36
MC5R P33032 3/20 0.36
MC3R P41968 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRND Q07001 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
Hydrochloric Acid SCHEMBL8120628 0.98 EPOR (0.41) EPORNPY1RTDP1MEN1KMT2A
SCHEMBL8126608 0.97 TDP1 (0.41) EPORNPY1RTDP1MEN1KMT2A
SCHEMBL8650060 0.89 TDP1 (0.41) EPORTDP1MEN1KMT2AMC4R
SCHEMBL7750469 0.88 TDP1 (0.38) EPORNPY1RTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL8120018 0.87 TDP1 (0.37) EPORNPY1RTDP1MEN1KMT2A
SCHEMBL8112100 0.87 TDP1 (0.44) NPY1RTDP1MEN1KMT2ANPFFR1
SCHEMBL8650581 0.86 TDP1 (0.43) EPORTDP1MEN1KMT2ACNR1
SCHEMBL8525859 0.86 TDP1 (0.40) EPORTDP1MEN1KMT2AMC4R
SCHEMBL1389094 0.86 TDP1 (0.38) NPY1RTDP1MEN1KMT2ANPFFR1
SCHEMBL7043232 0.86 TDP1 (0.40) NPY1RTDP1MEN1KMT2ANPFFR1

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

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