SCHEMBL23137075

CN(C(=O)OC(C)(C)C)c1ncnc2c1ccn2[C@@H]1C[C@H](CN(CCCN(CCc2ccc(Oc3ccccc3)cc2)C(=O)OC(C)(C)C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.30

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	NPEPPS	P55786	2/20	0.30

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.

Compound	similarity	top predicted	shared targets
SCHEMBL23137015	0.98	NPEPPS (0.30)	NPEPPS
SCHEMBL23120262	0.96	NPEPPS (0.30)	NPEPPS
SCHEMBL23120257	0.96	NPEPPS (0.30)	NPEPPS
SCHEMBL23137092	0.96	KLK7 (0.32)	NPEPPS
SCHEMBL23137086	0.94	—	—
SCHEMBL23120248	0.92	NPEPPS (0.32)	NPEPPS
SCHEMBL23120243	0.92	NPEPPS (0.32)	NPEPPS
SCHEMBL23120386	0.92	—	—
SCHEMBL23120444	0.85	NPEPPS (0.30)	NPEPPS
SCHEMBL23120441	0.85	NPEPPS (0.30)	NPEPPS

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-2021053158-A1	NOVEL HISTONE METHYLTRANSFERASE INHIBITORS	ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE)	2021-03-25	—	—	WO	disclosed