SCHEMBL12250668

SCHEMBL12250668

NC(O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H]1CC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 6/20 0.41
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL14468463 0.85 L3MBTL1 (0.42) TRHRHDAC3HDAC1HDAC10HDAC11
SCHEMBL12228303 0.84 TRHR (0.56) TRHR
SCHEMBL8258114 0.82 TRHR (0.47) TRHR
SCHEMBL8260031 0.75 TRHR (0.55) TRHR
SCHEMBL14185774 0.74 TRHR (0.55) TRHR
SCHEMBL12228300 0.74 TRHR (0.57) TRHR
SCHEMBL14543240 0.73 TRHR (0.40) TRHRHDAC3HDAC1HDAC10HDAC11
SCHEMBL8251458 0.73 TRHR (0.50) TRHR
SCHEMBL8252513 0.73 TRHR (0.78) TRHR
SCHEMBL8256591 0.73 TRHR (0.59) TRHR

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-8044103-B2 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2011-10-25 — — US disclosed
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