SCHEMBL30712920

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

nearest known ligand 0.69

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.69

▸	NMUR1	Q9HB89	5/20	0.69

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	TFPI	P10646	4/20	0.61

▸	KDM1A	O60341	2/20	0.60

▸	OPRD1	P41143	1/20	0.58

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
SCHEMBL34463649	0.91	NMUR2 (0.68)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL3357771	0.90	NMUR2 (0.68)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30495741	0.90	KDM1A (0.70)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30437301	0.90	NMUR2 (0.66)	NMUR2NMUR1TFPIKDM1A
SCHEMBL30416476	0.89	OPRD1 (0.69)	NMUR2NMUR1OPRD1
SCHEMBL30842156	0.88	NMUR2 (0.65)	NMUR2NMUR1TFPIOPRD1
SCHEMBL1371717	0.87	KDM1A (0.71)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30842169	0.87	NMUR2 (0.65)	NMUR2NMUR1TFPIOPRD1
SCHEMBL30842181	0.87	NMUR2 (0.64)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL29358225	0.87	OPRD1 (0.68)	NMUR2NMUR1OPRD1

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
US-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed