SCHEMBL8126656

SCHEMBL8126656

CC(C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc1cc(Cl)c(NC=O)c(Cl)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 6/20 0.37
▸ PADI6 Q6TGC4 2/20 0.36
▸ NPY2R P49146 2/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ PADI4 Q9UM07 6/20 0.36
▸ NPY4R P50391 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ PADI2 Q9Y2J8 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL8112976 0.85 TACR1 (0.42) NPY1RPADI6NPY2RNPY5RNPY4R
SCHEMBL6801482 0.78 CNR1 (0.48) NPY1RNPY2RNPY5RNPY4RCNR1
SCHEMBL6801475 0.78 CNR1 (0.48) NPY1RNPY2RNPY5RNPY4RCNR1
SCHEMBL8126662 0.78 CNR1 (0.31) CNR1CNR2
SCHEMBL8121138 0.75 NPY1R (0.41) NPY1RPADI6NPY2RNPY5RPADI4
SCHEMBL9289679 0.75 NPY1R (0.41) NPY1RPADI6NPY2RNPY5RPADI4
SCHEMBL4650700 0.73 NPY1R (0.55) NPY1RNPY2RNPY5RNPY4RMCHR1
SCHEMBL8118603 0.73 NPY1R (0.52) NPY1RNPY2RNPY5RNPY4R
SCHEMBL1388294 0.73 TACR1 (0.46) NPY1RPADI6NPY2RNPY5RNPY4R
SCHEMBL7750672 0.72 NPY1R (0.51) NPY1RNPY2RNPY5RNPY4R

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
Send feedback