SCHEMBL31694509

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.73

▸	CXCR4	P61073	8/20	0.63

▸	CTSL	P07711	2/20	0.60

▸	CTSS	P25774	2/20	0.60

▸	CTSK	P43235	2/20	0.60

▸	GLP1R	P43220	4/20	0.60

▸	GCGR	P47871	4/20	0.60

▸	CTSH	P09668	1/20	0.59

▸	GIPR	P48546	1/20	0.58

▸	MC4R	P32245	1/20	0.58

▸	MC5R	P33032	1/20	0.58

▸	MC3R	P41968	1/20	0.58

▸	MC1R	Q01726	1/20	0.58

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
SCHEMBL31694510	0.96	C5AR1 (0.68)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30518946	0.92	C5AR1 (0.69)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30518949	0.92	C5AR1 (0.69)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29655769	0.92	C5AR1 (0.69)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29794089	0.92	C5AR1 (0.69)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29793977	0.91	C5AR1 (0.68)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29655807	0.91	C5AR1 (0.68)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29389916	0.91	C5AR1 (0.68)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29655671	0.91	C5AR1 (0.68)	C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29794073	0.91	C5AR1 (0.68)	C5AR1CXCR4CTSLCTSSCTSK

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
US-RE50618-E1	Anionic-core composition for delivery of therapeutic agents, and methods of making and using the same	PHARMAIN CORPORATION (US)	2025-10-07	—	—	US	disclosed