SCHEMBL27431216

SCHEMBL27431216

COC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.52
▸ NPY1R P25929 9/20 0.52
▸ NPY5R Q15761 8/20 0.42
▸ NPY2R P49146 5/20 0.42
▸ NOD1 Q9Y239 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ TSHR P16473 1/20 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
SCHEMBL27431217 1.00 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL17015152 0.90 NPY4R (0.50) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL21782578 0.89 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL30434218 0.89 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2RNOD1
Hydrochloric Acid SCHEMBL30380134 0.88 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RNOD1
Hydrochloric Acid SCHEMBL29726986 0.88 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RNOD1
Hydrochloric Acid SCHEMBL29508688 0.88 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL30472837 0.87 NOD1 (0.50) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL30087525 0.87 NOD1 (0.50) NPY4RNPY1RNPY5RNPY2RNOD1
SCHEMBL27347692 0.87 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RFOLH1

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
CN-1062536-A Retroviral protease inhibitors from 3-chloro-2-chloromethyl-1-propylene derived AMERICAN CYANAMID CO (US) 1992-07-08 — — CN disclosed
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