SCHEMBL30607347

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	6/20	0.63

▸	NPY4R	P50391	6/20	0.63

▸	NPY5R	Q15761	6/20	0.63

▸	NPY1R	P25929	4/20	0.63

▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	KDM1A	O60341	2/20	0.57

▸	GLP1R	P43220	5/20	0.56

▸	KISS1R	Q969F8	2/20	0.56

▸	CXCR4	P61073	2/20	0.55

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	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
SCHEMBL31073531	0.89	MAPK8 (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31000884	0.89	NPY2R (0.75)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30712926	0.89	GLP1R (0.67)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182466	0.88	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31000908	0.87	NPY2R (0.72)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30262113	0.87	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31664365	0.86	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31664364	0.86	NPY1R (0.67)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30804658	0.86	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29883512	0.85	MAPK8 (0.68)	NPY2RNPY4RNPY5RNPY1RMAPK8

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
US-12383505-B2	Nanoparticle for the remodeling of cancer-associated fibroblasts	UNIVERSITY OF SOUTH CAROLINA (US)	2025-08-12	—	—	US	disclosed
US-20230310331-A1	NANOPARTICLE FOR THE REMODELING OF CANCER-ASSOCIATED FIBROBLASTS	UNIVERSITY OF SOUTH CAROLINA (US)	2023-10-05	—	—	US	disclosed