SCHEMBL31692775

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O

nearest known ligand 0.73

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	6/20	0.73

▸	KRAS	P01116	5/20	0.54

▸	SSTR2	P30874	2/20	0.54

▸	F12	P00748	6/20	0.54

▸	MC4R	P32245	1/20	0.53

▸	MC3R	P41968	1/20	0.53

▸	MC1R	Q01726	1/20	0.53

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
SCHEMBL29370908	1.00	CXCR4 (0.73)	CXCR4KRASSSTR2F12MC4R
SCHEMBL29466599	1.00	CXCR4 (0.73)	CXCR4KRASSSTR2F12MC4R
SCHEMBL29466605	0.97	CXCR4 (0.71)	CXCR4KRASSSTR2F12MC4R
SCHEMBL29932137	0.97	CXCR4 (0.77)	CXCR4F12
SCHEMBL29385707	0.97	CXCR4 (0.77)	CXCR4F12
SCHEMBL15987184	0.97	CXCR4 (0.77)	CXCR4F12
SCHEMBL20438937	0.96	CXCR4 (0.68)	CXCR4KRASSSTR2
SCHEMBL29932187	0.94	CXCR4 (0.64)	CXCR4KRASF12
Motixafortide SCHEMBL24090760	0.93	CXCR4 (0.65)	CXCR4KRASSSTR2MC4RMC3R
Motixafortide SCHEMBL29367811	0.93	CXCR4 (0.65)	CXCR4KRASSSTR2MC4RMC3R

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
WO-2025202445-A2	CXCR4 INHIBITOR COMPOUND IN THE TREATMENT AND/OR THE PREVENTION OF SEVERE ARDS	4LIVING BIOTECH (FR)	2025-10-02	—	—	WO	disclosed