SCHEMBL30607401

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.65

▸	NMUR1	Q9HB89	5/20	0.65

▸	RAMP3	O60896	3/20	0.64

▸	CALCR	P30988	3/20	0.64

▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	TFPI	P10646	2/20	0.60

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
SCHEMBL31182982	0.91	NPY2R (0.73)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31182456	0.91	CALCR (0.66)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30964513	0.90	RAMP3 (0.64)	NMUR2NMUR1RAMP3CALCRMAPK8
SCHEMBL30435007	0.90	NPY2R (0.67)	NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL30327447	0.90	RAMP3 (0.64)	NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL30906494	0.90	NPY2R (0.62)	NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL30906523	0.89	MAPK8 (0.62)	NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL30658298	0.89	NPY2R (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495834	0.89	RAMP3 (0.68)	NMUR2NMUR1RAMP3CALCRNPY2R
SCHEMBL31182462	0.89	CALCR (0.64)	NMUR2NMUR1RAMP3CALCRNPY2R

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