SCHEMBL31409436

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)CN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.63

▸	CXCL8	P10145	2/20	0.58

▸	IL23R	Q5VWK5	1/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	KEAP1	Q14145	1/20	0.57

▸	KISS1R	Q969F8	3/20	0.56

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

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
SCHEMBL31409438	0.99	CXCR4 (0.63)	CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL30404538	0.91	KEAP1 (0.65)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30867019	0.90	CXCR4 (0.61)	CXCR4IL23RKISS1R
SCHEMBL30431356	0.89	CXCR4 (0.66)	CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL31433330	0.89	CXCR4 (0.64)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31433287	0.88	KISS1R (0.59)	CXCR4CXCL8IL23RKISS1RMAPK8
SCHEMBL29973459	0.87	TACR1 (0.63)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL31073573	0.87	IL23R (0.59)	CXCR4CXCL8IL23RKISS1R
SCHEMBL30495593	0.87	CXCR4 (0.69)	CXCR4CXCL8IL23RNPY1RNPY2R
SCHEMBL31182581	0.87	CXCR4 (0.68)	CXCR4CXCL8NPY1RNPY2RNPY4R

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-119607209-A	Method for improving high altitude hypertension by GsMTx-4 compound	中国人民解放军总医院	2025-03-14	—	—	CN	claimed
CN-119607209-A	Method for improving high altitude hypertension by GsMTx-4 compound	中国人民解放军总医院	2025-03-14	—	—	CN	disclosed