SCHEMBL8119401

SCHEMBL8119401

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.48
▸ CNR2 P34972 5/20 0.48
▸ C3AR1 Q16581 1/20 0.43
▸ NPY1R P25929 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.40

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 0.93 CNR1 (0.51) CNR1CNR2C3AR1
SCHEMBL8612664 0.86 CNR1 (0.44) CNR1CNR2C3AR1NPY1R
SCHEMBL5057899 0.84 NPY1R (0.53) NPY1R
SCHEMBL1388313 0.83 NPY1R (0.44) CNR1NPY1R
SCHEMBL4652031 0.83 NPY1R (0.48) CNR1CNR2NPY1R
SCHEMBL8126877 0.82 POLB (0.40) CNR1CNR2C3AR1NPY1R
SCHEMBL8068044 0.82 CNR1 (0.41) CNR1CNR2C3AR1NPY1R
SCHEMBL1388522 0.82 CNR1 (0.47) CNR1CNR2
SCHEMBL1388761 0.81 NPY1R (0.51) NPY1R
SCHEMBL4650707 0.81 NPY1R (0.43) CNR1NPY1R

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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