SCHEMBL30862323

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	9/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	7/20	0.60

▸	IL23R	Q5VWK5	1/20	0.57

▸	CALCR	P30988	4/20	0.57

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	KEAP1	Q14145	1/20	0.56

▸	TFPI	P10646	2/20	0.56

▸	CXCR4	P61073	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
SCHEMBL30200345	0.91	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RIL23R
SCHEMBL30437207	0.90	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30952009	0.90	CALCR (0.68)	NPY2RNPY4RNPY5RNPY1RIL23R
SCHEMBL29509548	0.90	TFPI (0.65)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30436229	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29588486	0.89	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182798	0.88	CALCR (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182883	0.88	CXCR4 (0.60)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607391	0.87	CXCR4 (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29593192	0.87	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RCALCR

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