SCHEMBL10676657

SCHEMBL10676657

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.42
▸ ATM Q13315 2/20 0.42
▸ NPSR1 Q6W5P4 7/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 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
SCHEMBL13863591 0.86 MEN1 (0.42) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL2521911 0.85 NPY4R (0.43) KMT2AMEN1CA1CA2
SCHEMBL8666247 0.85 MEN1 (0.40) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL25455532 0.84 KMT2A (0.56) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL3693813 0.82 MEN1 (0.41) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL12234273 0.82 TDP1 (0.41) TDP1ATMNPSR1KMT2AMEN1
SCHEMBL13949746 0.81 NPY4R (0.43) KMT2AMEN1CA1CA2
SCHEMBL23048407 0.81 NPY4R (0.43) KMT2AMEN1CA1CA2
SCHEMBL8005035 0.81 NPY4R (0.43) KMT2AMEN1CA1CA2
SCHEMBL16263608 0.80 MEN1 (0.44) TDP1ATMNPSR1KMT2AMEN1

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-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 — — US disclosed
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