SCHEMBL30607442

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	F2	P00734	4/20	0.59

▸	HCRTR1	O43613	1/20	0.57

▸	HCRTR2	O43614	1/20	0.57

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

▸	NMBR	P28336	2/20	0.54

▸	GRPR	P30550	2/20	0.54

▸	APLNR	P35414	1/20	0.53

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
SCHEMBL30658274	0.86	CALCR (0.70)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30432714	0.86	CALCR (0.67)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30495761	0.84	CALCR (0.62)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31388186	0.84	CALCR (0.69)	CALCRF2HCRTR1HCRTR2
SCHEMBL30658271	0.84	CALCR (0.70)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL29599159	0.84	CALCR (0.75)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30431281	0.84	F2 (0.59)	CALCRF2HCRTR1HCRTR2NMBR
SCHEMBL30607425	0.83	CALCR (0.66)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL31182692	0.83	CALCR (0.66)	CALCRF2HCRTR1HCRTR2NPY2R
SCHEMBL30922367	0.83	CALCR (0.72)	CALCRF2HCRTR1HCRTR2NPY2R

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