SCHEMBL30607428

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.53

▸	CRHR1	P34998	1/20	0.50

▸	CRHR2	Q13324	1/20	0.50

▸	NPY2R	P49146	8/20	0.50

▸	NPY4R	P50391	8/20	0.50

▸	NPY5R	Q15761	8/20	0.50

▸	NPY1R	P25929	6/20	0.50

▸	EP300	Q09472	1/20	0.46

▸	HIF1A	Q16665	1/20	0.46

▸	KDM1A	O60341	2/20	0.46

▸	MAOB	P27338	1/20	0.46

▸	KDM5A	P29375	1/20	0.46

▸	KDM1B	Q8NB78	1/20	0.46

▸	KEAP1	Q14145	1/20	0.46

▸	BACE1	P56817	1/20	0.45

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
SCHEMBL30512575	0.90	NPY2R (0.49)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432052	0.89	CALCR (0.63)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607383	0.89	CALCR (0.67)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30433468	0.88	CALCR (0.55)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30607490	0.88	CALCR (0.53)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29885795	0.87	CAPN1 (0.46)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31415950	0.86	NTSR1 (0.48)	—
SCHEMBL31743444	0.86	CALCR (0.54)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30844247	0.86	NPY2R (0.47)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL38663746	0.85	CALCR (0.65)	CALCRCRHR1CRHR2NPY2RNPY4R

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