SCHEMBL10428029

CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	2/20	0.47

▸	CALCRL	Q16602	4/20	0.47

▸	BACE1	P56817	10/20	0.46

▸	CTSD	P07339	3/20	0.46

▸	BACE2	Q9Y5Z0	2/20	0.44

▸	CAPN1	P07384	2/20	0.43

▸	F2R	P25116	1/20	0.43

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
SCHEMBL30579777	0.89	ACE (0.51)	KEAP1CALCRLBACE1CTSDBACE2
SCHEMBL31318916	0.89	CALCRL (0.51)	CALCRLBACE1CTSDBACE2
SCHEMBL30988889	0.88	CALCRL (0.49)	CALCRLBACE1CTSDCAPN1F2R
SCHEMBL30658574	0.88	CALCRL (0.52)	CALCRLBACE1CTSDBACE2
SCHEMBL29477125	0.87	ACE (0.50)	CALCRL
SCHEMBL29657237	0.86	CAPN1 (0.46)	CALCRLCTSDCAPN1
SCHEMBL31410876	0.85	CALCRL (0.49)	KEAP1CALCRLBACE1CTSDBACE2
SCHEMBL30434139	0.84	ACE (0.54)	F2R
SCHEMBL30434874	0.84	ACE (0.54)	F2R
SCHEMBL38659141	0.84	CALCRL (0.45)	KEAP1CALCRL

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-0395357-A2	Polyamines useful as antagonists of excitatory amino acid neurotransmitters and/or as blockers of calcium channels	PFIZER INC. (US)	1990-10-31	—	—	EP	claimed