SCHEMBL30607326

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

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	12/20	0.56

▸	F2	P00734	4/20	0.55

▸	RAMP3	O60896	8/20	0.53

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	GLP1R	P43220	1/20	0.51

▸	GCGR	P47871	1/20	0.51

▸	GIPR	P48546	1/20	0.51

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
SCHEMBL31182805	0.86	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL29984028	0.85	CALCR (0.55)	CALCRF2RAMP3HCRTR1HCRTR2
SCHEMBL31182995	0.84	CALCR (0.63)	CALCRF2RAMP3HCRTR1HCRTR2
SCHEMBL29742986	0.84	CALCR (0.59)	CALCRRAMP3GLP1RGCGRGIPR
SCHEMBL30978823	0.84	F2 (0.58)	CALCRF2RAMP3HCRTR1HCRTR2
SCHEMBL29649214	0.84	NPY2R (0.62)	CALCRRAMP3
SCHEMBL31182567	0.84	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31182626	0.84	RAMP3 (0.60)	CALCRRAMP3GLP1RGCGRGIPR
SCHEMBL30495820	0.84	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432818	0.83	F2 (0.73)	CALCRF2HCRTR1HCRTR2CRHR1

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