SCHEMBL18671023

SCHEMBL18671023

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.41
▸ NPY4R P50391 12/20 0.39
▸ NPY1R P25929 9/20 0.39
▸ NPY5R Q15761 8/20 0.39
▸ NPY2R P49146 5/20 0.39
▸ MME P08473 3/20 0.39
▸ GNPAT O15228 1/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ C3AR1 Q16581 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
SCHEMBL18671823 0.95 NPY4R (0.39) TGFBR1NPY4RNPY1RNPY5RNPY2R
SCHEMBL18671027 0.90 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL18671029 0.88 NPY4R (0.41) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL18671822 0.88 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RNMT2
SCHEMBL30958040 0.87 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL18671700 0.87 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2RMME
SCHEMBL15826828 0.86 NPY4R (0.47) NPY4RNPY1RNPY5RNPY2R
SCHEMBL162756 0.85 FOLH1 (0.38) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL93473 0.85 FOLH1 (0.38) NPY4RNPY1RNPY5RNPY2RC3AR1
SCHEMBL17769024 0.85 FOLH1 (0.38) NPY4RNPY1RNPY5RNPY2RC3AR1

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 2 patents. 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
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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