SCHEMBL30603101

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.61

▸	C5AR1	P21730	1/20	0.58

▸	CTSL	P07711	3/20	0.56

▸	CTSS	P25774	3/20	0.56

▸	CTSK	P43235	3/20	0.56

▸	GLP1R	P43220	3/20	0.56

▸	GCGR	P47871	3/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	CALCA	P06881	1/20	0.54

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
SCHEMBL29851115	0.98	CXCR4 (0.60)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31332562	0.98	CXCR4 (0.60)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31561788	0.97	CXCR4 (0.60)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29966255	0.90	CXCR4 (0.65)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29966276	0.90	CXCR4 (0.65)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29966075	0.90	CXCR4 (0.65)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL29966029	0.90	CXCR4 (0.65)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31065167	0.89	C5AR1 (0.62)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30917323	0.85	CXCR4 (0.56)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL30862329	0.85	CXCR4 (0.69)	CXCR4C5AR1CTSLCTSSCTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116836255-B	Chemical synthesis preparation method of mu-conotoxin peptide	广州森升生物科技有限公司	2024-10-18	—	—	CN	disclosed
CN-116836255-A	Chemical synthesis preparation method of mu-conotoxin peptide	广州森升生物科技有限公司	2023-10-03	—	—	CN	disclosed