SCHEMBL14535404

SCHEMBL14535404

CB(C)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
NPY4R P50391 9/20 0.36
NPY1R P25929 5/20 0.36
NPY2R P49146 4/20 0.36
NPY5R Q15761 4/20 0.36
DPP7 Q9UHL4 7/20 0.36
DPP8 Q6V1X1 6/20 0.36
DPP9 Q86TI2 6/20 0.36
DPP4 P27487 3/20 0.36
ANPEP P15144 3/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 2/20 0.33

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
SCHEMBL10190207 0.91 DPP7 (0.44) NOS1NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL607606 0.90 DPP7 (0.43) NOS1NPY4RNPY1RNPY2RNPY5R
SCHEMBL608402 0.80 NOS1 (0.49) NOS1NPY4RNPY1RNPY2RNPY5R
SCHEMBL3164624 0.77 LONP1 (0.39)
SCHEMBL608401 0.76 NOS1 (0.41) NOS1NPY4RNPY1RNPY2RNPY5R
SCHEMBL3164228 0.75 PSMB5 (0.47)
Nitroarginine SCHEMBL345312 0.74 NOS1 (0.48) NOS1
SCHEMBL5983469 0.74 NOS1 (0.46) NOS1DPP7
SCHEMBL607060 0.74 NOS1 (0.46) NOS1DPP7
Nitroarginine SCHEMBL881062 0.74 NOS1 (0.48) NOS1

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
US-7223745-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2007-05-29 US disclosed