SCHEMBL31084238

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.62

▸	NMUR2	Q9GZQ4	5/20	0.61

▸	NMUR1	Q9HB89	5/20	0.61

▸	NTSR2	O95665	3/20	0.58

▸	NTSR1	P30989	3/20	0.58

▸	SORT1	Q99523	3/20	0.58

▸	NPY2R	P49146	4/20	0.57

▸	NPY4R	P50391	4/20	0.57

▸	NPY5R	Q15761	4/20	0.57

▸	NPY1R	P25929	3/20	0.57

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
SCHEMBL23278082	0.97	NMUR2 (0.64)	F2NMUR2NMUR1NTSR1NPY2R
SCHEMBL29389211	0.97	NMUR2 (0.64)	F2NMUR2NMUR1NTSR1NPY2R
SCHEMBL25739	0.97	NMUR2 (0.64)	F2NMUR2NMUR1NTSR1NPY2R
Acetic Acid SCHEMBL2037978	0.96	NMUR2 (0.63)	F2NMUR2NMUR1NPY2RNPY4R
SCHEMBL28366588	0.96	NMUR2 (0.65)	F2NMUR2NMUR1NTSR2NTSR1
SCHEMBL30753221	0.95	NMUR2 (0.61)	F2NMUR2NMUR1NTSR2NTSR1
SCHEMBL23630197	0.95	NMUR2 (0.62)	F2NMUR2NMUR1NPY2RNPY4R
Trifluoroacetic Acid SCHEMBL4139781	0.94	NMUR2 (0.61)	F2NMUR2NMUR1NPY2RNPY4R
Trifluoroacetic Acid SCHEMBL2034151	0.94	NMUR2 (0.61)	F2NMUR2NMUR1NPY2RNPY4R
Trifluoroacetic Acid SCHEMBL29454826	0.94	NMUR2 (0.61)	F2NMUR2NMUR1NPY2RNPY4R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-118561901-A	Compound containing bis ((siloxy) phenyl) methane structure and preparation method and application thereof	南京工业大学	2024-08-30	—	—	CN	disclosed