SCHEMBL30607298

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.66

▸	HCRTR1	O43613	1/20	0.63

▸	HCRTR2	O43614	1/20	0.63

▸	F2	P00734	4/20	0.62

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	CCKBR	P32239	2/20	0.55

▸	GLP1R	P43220	2/20	0.55

▸	APLNR	P35414	1/20	0.54

▸	NPY2R	P49146	1/20	0.52

▸	NPY4R	P50391	1/20	0.52

▸	NPY5R	Q15761	1/20	0.52

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
SCHEMBL30922367	0.89	CALCR (0.72)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31182710	0.88	CALCR (0.68)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31683348	0.87	CALCR (0.69)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30437180	0.87	CALCR (0.68)	CALCRHCRTR1HCRTR2F2MAPK8
SCHEMBL30432534	0.87	CALCR (0.76)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30432477	0.87	CALCR (0.78)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31182860	0.86	CALCR (0.77)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30576894	0.86	CALCR (0.69)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30658271	0.86	CALCR (0.70)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29949630	0.86	CALCR (0.74)	CALCRHCRTR1HCRTR2F2CRHR1

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