SCHEMBL14543010

SCHEMBL14543010

CC(=N)NCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)N1CCC[C@H]1CO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC10 Q969S8 4/20 0.37
▸ HDAC11 Q96DB2 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ OPRM1 P35372 4/20 0.36
▸ OPRK1 P41145 4/20 0.36
▸ TRHR P34981 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NCOR2 Q9Y618 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
SCHEMBL12250682 0.89 HDAC3 (0.38) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL12228297 0.86 TRHR (0.49) TRHR
SCHEMBL14468463 0.81 L3MBTL1 (0.42) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL12250683 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL14543240 0.80 TRHR (0.40) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL12228302 0.77 TRHR (0.48) TRHR
SCHEMBL12250684 0.74 TRHR (0.37) HDAC3HDAC1HDAC10HDAC11HDAC8
SCHEMBL12228298 0.72 TRHR (0.47) TRHR
SCHEMBL14468464 0.72 TRHR (0.38) TRHRL3MBTL1
SCHEMBL14468348 0.70 L3MBTL1 (0.34) TRHRL3MBTL1

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-7202279-B1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2007-04-10 — — US disclosed
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