SCHEMBL8126877

SCHEMBL8126877

N=C(N)NCCC[C@H](NCc1cccs1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.38
▸ NPY1R P25929 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ C3AR1 Q16581 1/20 0.37
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ PGGT1B P53609 2/20 0.37
▸ ADAM17 P78536 2/20 0.37
▸ FOLH1 Q04609 2/20 0.36

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
SCHEMBL8121310 0.85 NPY1R (0.50) POLBNPY1R
SCHEMBL1388313 0.83 NPY1R (0.44) NPY1RCNR1
SCHEMBL8119401 0.82 CNR1 (0.48) NPY1RCNR1CNR2C3AR1
SCHEMBL8120358 0.82 CNR1 (0.51) CNR1CNR2C3AR1
SCHEMBL5057899 0.82 NPY1R (0.53) NPY1R
SCHEMBL8612664 0.80 CNR1 (0.44) NPY1RCNR1CNR2C3AR1
SCHEMBL4650707 0.80 NPY1R (0.43) NPY1RCNR1
SCHEMBL1388761 0.80 NPY1R (0.51) NPY1R
SCHEMBL4651777 0.79 CNR1 (0.48) NPY1RCNR1ALDH1A1CNR2
SCHEMBL4651114 0.77 NPY1R (0.45) NPY1R

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
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