SCHEMBL2521911

SCHEMBL2521911

CN[C@@H](CCCCNC(=N)N)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 5/20 0.43
▸ NPY1R P25929 3/20 0.43
▸ ALOX15 P16050 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FOLH1 Q04609 2/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ SIRT1 Q96EB6 2/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ NPY2R P49146 2/20 0.34
▸ NPY5R Q15761 2/20 0.34
▸ SPHK1 Q9NYA1 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ZDHHC7 Q9NXF8 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL8005035 0.95 NPY4R (0.43) NPY4RNPY1RALOX15MEN1CYP1A2
SCHEMBL13949746 0.95 NPY4R (0.43) NPY4RNPY1RALOX15MEN1CYP1A2
SCHEMBL23048407 0.95 NPY4R (0.43) NPY4RNPY1RALOX15MEN1CYP1A2
Hydrochloric Acid SCHEMBL7302869 0.94 NPY4R (0.43) NPY4RNPY1RALOX15MEN1CYP1A2
Hydrochloric Acid SCHEMBL28825330 0.94 NPY4R (0.43) NPY4RNPY1RALOX15MEN1CYP1A2
Hydrochloric Acid SCHEMBL7303864 0.94 NPY4R (0.43) NPY4RNPY1RALOX15MEN1CYP1A2
SCHEMBL10676657 0.85 TDP1 (0.42) MEN1KMT2ACA1CA2
SCHEMBL16263594 0.85 NPY4R (0.49) NPY4RNPY1RFOLH1NPY2RNPY5R
SCHEMBL8663352 0.84 FOLH1 (0.43) NPY4RNPY1RALOX15MEN1CYP1A2
SCHEMBL350358 0.84 FOLH1 (0.43) NPY4RNPY1RALOX15MEN1CYP1A2

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
EP-2364166-A1 SUPPRESSION OF CANCER Syntaxin Limited (GB) 2011-09-14 — — EP disclosed
WO-2010055358-A1 SUPPRESSION OF CANCER SYNTAXIN LIMITED (GB) 2010-05-20 — — WO disclosed
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