SCHEMBL30607475

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.69

▸	HCRTR1	O43613	1/20	0.63

▸	HCRTR2	O43614	1/20	0.63

▸	F2	P00734	4/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	CCKBR	P32239	2/20	0.59

▸	GLP1R	P43220	2/20	0.59

▸	CXCR4	P61073	1/20	0.56

▸	OPRM1	P35372	2/20	0.55

▸	OPRD1	P41143	2/20	0.55

▸	OPRK1	P41145	2/20	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
SCHEMBL30233222	0.89	CALCR (0.62)	CALCRHCRTR1HCRTR2F2OPRM1
SCHEMBL31452911	0.88	CALCR (0.65)	CALCRHCRTR1HCRTR2GLP1RCXCR4
SCHEMBL30537029	0.88	GLP1R (0.72)	CALCRHCRTR1HCRTR2CCKBRGLP1R
SCHEMBL30974096	0.88	CALCR (0.62)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30607390	0.87	CALCR (0.69)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31073576	0.87	CALCR (0.62)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL31182562	0.87	CALCR (0.73)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL29939733	0.87	CALCR (0.73)	CALCRHCRTR1HCRTR2F2CRHR1
SCHEMBL30432185	0.87	CALCR (0.65)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30906376	0.87	CALCR (0.70)	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