SCHEMBL29674968

C[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	12/20	0.61

▸	CTSL	P07711	3/20	0.58

▸	CTSS	P25774	3/20	0.58

▸	CTSK	P43235	3/20	0.58

▸	CTSH	P09668	1/20	0.56

▸	C5AR1	P21730	1/20	0.53

▸	GLP1R	P43220	3/20	0.52

▸	GIPR	P48546	3/20	0.52

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
SCHEMBL29674837	1.00	CXCR4 (0.61)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29895404	1.00	CXCR4 (0.61)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29674947	0.88	EPHA2 (0.54)	CXCR4
SCHEMBL29674916	0.88	EPHA2 (0.54)	CXCR4
SCHEMBL31433253	0.87	CXCR4 (0.61)	CXCR4CTSLCTSSCTSKC5AR1
SCHEMBL31433222	0.86	CTSL (0.60)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30275583	0.86	CXCR4 (0.62)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31011012	0.85	CXCR4 (0.68)	CXCR4C5AR1
SCHEMBL29645138	0.85	CXCR4 (0.58)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31593382	0.85	CXCR4 (0.62)	CXCR4CTSLCTSSCTSKCTSH

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-110437311-B	Polypeptide and application thereof	南京安吉生物科技有限公司	2022-05-20	—	—	CN	claimed
CN-110437311-B	Polypeptide and application thereof	南京安吉生物科技有限公司	2022-05-20	—	—	CN	disclosed