SCHEMBL12292041

SCHEMBL12292041

COC(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.41
▸ FOLH1 Q04609 4/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPY4R P50391 6/20 0.38
▸ TGM2 P21980 5/20 0.38
▸ NPY1R P25929 3/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35

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
SCHEMBL2367531 0.86 MEN1 (0.55) MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL27911007 0.86 TGM2 (0.42) C3AR1FOLH1MEN1GAAKMT2A
SCHEMBL7364210 0.86 MEN1 (0.55) MEN1GAAKMT2A
SCHEMBL1486276 0.86 MEN1 (0.55) MEN1GAAKMT2A
SCHEMBL29005731 0.85 C3AR1 (0.43) C3AR1FOLH1MEN1KMT2ANPY4R
SCHEMBL12971304 0.85 C3AR1 (0.43) C3AR1FOLH1MEN1KMT2ANPY4R
Hydrochloric Acid SCHEMBL8630295 0.85 MEN1 (0.54) MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL10444447 0.85 MEN1 (0.54) MEN1GAAKMT2A
Water SCHEMBL10332189 0.85 MEN1 (0.54) MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL7264801 0.85 MEN1 (0.54) MEN1GAAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 — — US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 — — US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 — — US disclosed
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