SCHEMBL6269573

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](N)CCC(=O)C=[N+]=[N-])C(=O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compound	similarity	top predicted	shared targets
SCHEMBL5177734	0.85	ENPEP (0.32)	—
SCHEMBL5178062	0.81	PSENEN (0.37)	—
SCHEMBL30544517	0.67	PSENEN (0.47)	—
SCHEMBL30544518	0.67	PSENEN (0.47)	—
SCHEMBL11570840	0.65	CTSS (0.36)	—
SCHEMBL10481476	0.65	CTSS (0.35)	—
SCHEMBL20338800	0.63	HDAC6 (0.31)	—
SCHEMBL28501210	0.63	KMT2A (0.40)	—
SCHEMBL11211657	0.63	KMT2A (0.40)	—
SCHEMBL20338802	0.63	HDAC6 (0.31)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1600504-A1	Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors	N-Zyme BioTec GmbH (DE)	2005-11-30	—	—	EP	disclosed