SCHEMBL16298069

C[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)C(N)=O)CCCCCCCCCC(C)(C)[C@H](NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C(=O)N2C1

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
SCHEMBL8257249	0.90	PSMB9 (0.31)	—
SCHEMBL13685337	0.85	CTSV (0.34)	—
SCHEMBL13685005	0.85	CTSV (0.34)	—
SCHEMBL16349620	0.80	CTSV (0.32)	—
SCHEMBL8249283	0.77	TERF2 (0.35)	—
SCHEMBL8290299	0.74	CTSV (0.35)	—
SCHEMBL12608361	0.74	CTSV (0.35)	—
SCHEMBL13685078	0.74	CTSV (0.35)	—
SCHEMBL13685771	0.71	—	—
SCHEMBL8291427	0.71	—	—

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
WO-2006113942-A2	METHOD OF INHIBITING CATHEPSIN ACTIVITY	SCHERING CORPORATION (US)	2006-10-26	—	—	WO	disclosed