SCHEMBL8125407

SCHEMBL8125407

N=C(N)NCCC[C@H](NCCc1c[nH]cn1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 4/20 0.41
▸ CNR1 P21554 5/20 0.37
▸ C3AR1 Q16581 1/20 0.35
▸ CNR2 P34972 4/20 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
SCHEMBL8120358 0.81 CNR1 (0.51) CNR1C3AR1CNR2
SCHEMBL4652031 0.80 NPY1R (0.48) NPY1RCNR1CNR2
SCHEMBL9275404 0.80 KMT2A (0.46) —
SCHEMBL8119401 0.79 CNR1 (0.48) NPY1RCNR1C3AR1CNR2
SCHEMBL4651833 0.77 CNR1 (0.47) CNR1CNR2
SCHEMBL8612664 0.77 CNR1 (0.44) NPY1RCNR1C3AR1CNR2
SCHEMBL9276334 0.76 CNR1 (0.32) NPY1RCNR1C3AR1
SCHEMBL9195784 0.76 CNR1 (0.32) NPY1RCNR1
SCHEMBL9195777 0.76 CNR1 (0.32) NPY1RCNR1
SCHEMBL5057899 0.75 NPY1R (0.53) 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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