SCHEMBL30862329

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

nearest known ligand 0.69

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	12/20	0.69

▸	C5AR1	P21730	1/20	0.62

▸	CTSL	P07711	3/20	0.61

▸	CTSS	P25774	3/20	0.61

▸	CTSK	P43235	3/20	0.61

▸	CTSH	P09668	1/20	0.61

▸	GLP1R	P43220	3/20	0.60

▸	GCGR	P47871	3/20	0.60

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
SCHEMBL29416022	0.91	CXCR4 (0.72)	CXCR4C5AR1GLP1RGCGR
SCHEMBL31307939	0.90	CXCR4 (0.65)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL15987247	0.90	CXCR4 (0.81)	CXCR4C5AR1GLP1RGCGR
SCHEMBL30429341	0.90	GLP1R (0.68)	CXCR4C5AR1GLP1RGCGR
SCHEMBL31183002	0.90	CXCR4 (0.71)	CXCR4C5AR1GLP1RGCGR
SCHEMBL31307907	0.89	CXCR4 (0.66)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31182675	0.89	CALCR (0.65)	CXCR4C5AR1GLP1RGCGR
SCHEMBL30423265	0.88	CXCR4 (0.65)	CXCR4C5AR1CTSLCTSSCTSK
SCHEMBL31457380	0.88	CXCR4 (0.70)	CXCR4C5AR1GLP1RGCGR
SCHEMBL29697161	0.88	CXCR4 (0.68)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed