SCHEMBL31683367

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

nearest known ligand 0.62

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.62

▸	IL23R	Q5VWK5	1/20	0.61

▸	KEAP1	Q14145	1/20	0.60

▸	GCGR	P47871	2/20	0.60

▸	GIPR	P48546	2/20	0.60

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	GLP1R	P43220	8/20	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

▸	C5AR1	P21730	1/20	0.56

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
SCHEMBL31688338	0.90	IL23R (0.58)	CXCR4IL23RC5AR1
SCHEMBL29672871	0.89	IL23R (0.70)	CXCR4IL23RGIPRGLP1RNPY1R
SCHEMBL29706348	0.89	CXCR4 (0.67)	CXCR4GCGRGIPRGLP1RNPY1R
SCHEMBL29812760	0.89	NPY1R (0.67)	CXCR4GCGRGIPRGLP1RNPY1R
SCHEMBL30658254	0.89	KEAP1 (0.72)	CXCR4KEAP1GLP1RNPY1RNPY2R
SCHEMBL29428054	0.89	CXCR4 (0.62)	CXCR4IL23RKEAP1GCGRGIPR
SCHEMBL30432945	0.89	NPY1R (0.64)	CXCR4GCGRGIPRMAPK8MAPK9
SCHEMBL29436331	0.88	IL23R (0.70)	CXCR4IL23RNPY1RNPY2RNPY4R
SCHEMBL30712878	0.88	CXCR4 (0.65)	CXCR4KEAP1GCGRGIPRGLP1R
SCHEMBL31182636	0.88	GLP1R (0.68)	CXCR4KEAP1GCGRGIPRGLP1R

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-20250283037-A1	METHODS FOR STIMULATING AND TRANSDUCING T CELLS	JUNO THERAPEUTICS GMBH (DE)	2025-09-11	—	—	US	disclosed