SCHEMBL29568733

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	4/20	0.48

▸	CTSD	P07339	3/20	0.48

▸	KDM1A	O60341	3/20	0.44

▸	REN	P00797	10/20	0.44

▸	MAPK8	P45983	1/20	0.44

▸	MAPK9	P45984	1/20	0.44

▸	MAPK10	P53779	1/20	0.44

▸	CALCRL	Q16602	1/20	0.43

▸	MAOB	P27338	1/20	0.41

▸	KDM5A	P29375	1/20	0.41

▸	KDM1B	Q8NB78	1/20	0.41

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
SCHEMBL29568802	0.93	KDM1A (0.45)	BACE1CTSDKDM1ARENMAPK8
SCHEMBL29568972	0.91	BACE1 (0.44)	BACE1CTSDKDM1ARENMAPK8
SCHEMBL29568737	0.91	KDM1A (0.55)	KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30658577	0.89	REN (0.46)	REN
SCHEMBL30311449	0.89	BACE1 (0.47)	BACE1CTSDKDM1AMAPK8MAPK9
SCHEMBL11576618	0.87	CPB2 (0.41)	BACE1CTSDKDM1ARENCALCRL
SCHEMBL11576611	0.87	CPB2 (0.41)	BACE1CTSDKDM1ARENCALCRL
SCHEMBL30311231	0.87	KDM1A (0.50)	BACE1CTSDKDM1ARENCALCRL
SCHEMBL30844409	0.86	KDM1A (0.47)	BACE1CTSDKDM1ARENMAPK8
SCHEMBL30844341	0.86	CALCRL (0.42)	BACE1CTSDKDM1ARENMAPK8

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-3320923-B1	FLUORESCENT IMAGING AGENTS	VISEN MEDICAL INC (US)	2022-04-06	—	—	EP	disclosed