SCHEMBL18671700

SCHEMBL18671700

CN[C@@H](CCCNC(=N)N)C(=O)NC(CO)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.47
▸ NPY1R P25929 9/20 0.47
▸ NPY5R Q15761 8/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ MME P08473 1/20 0.37
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ FOLH1 Q04609 1/20 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
SCHEMBL18671824 0.95 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RMME
SCHEMBL16263594 0.93 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL18671027 0.88 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL16263595 0.88 NPY4R (0.48) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL18671023 0.87 TGFBR1 (0.41) NPY4RNPY1RNPY5RNPY2RMME
SCHEMBL23048407 0.86 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL8005035 0.86 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL13949746 0.86 NPY4R (0.43) NPY4RNPY1RNPY5RNPY2RFOLH1
SCHEMBL18671029 0.86 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL18671822 0.85 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RNMT2

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-9605013-B2 Derivatives of hemin with antibacterial and antiviral activity Obschestvo S Ogranichennoi Otvetstvennostiyu “Pharmenterprises” (RU) 2017-03-28 — — US disclosed
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