SCHEMBL30607437

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

nearest known ligand 0.67

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.67

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	GLP1R	P43220	6/20	0.56

▸	GCGR	P47871	3/20	0.56

▸	F2	P00734	4/20	0.56

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

▸	CCKBR	P32239	3/20	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
SCHEMBL31182811	0.86	CALCR (0.73)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30432317	0.85	CALCR (0.69)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30262163	0.85	CALCR (0.62)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31688311	0.84	CALCR (0.59)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL29949623	0.84	CRHR1 (0.68)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182887	0.84	CALCR (0.76)	CALCRCRHR1CRHR2GLP1RF2
SCHEMBL29794830	0.84	CALCR (0.76)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL30968310	0.84	GLP1R (0.68)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31182779	0.83	CALCR (0.83)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL2448693	0.83	CALCR (0.71)	CALCRCRHR1CRHR2GLP1RF2

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