SCHEMBL30712908

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.62

▸	NPY2R	P49146	7/20	0.60

▸	NPY4R	P50391	7/20	0.60

▸	NPY5R	Q15761	7/20	0.60

▸	NPY1R	P25929	5/20	0.60

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

▸	TFPI	P10646	3/20	0.57

▸	CXCR4	P61073	1/20	0.57

▸	NMUR2	Q9GZQ4	2/20	0.57

▸	NMUR1	Q9HB89	2/20	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
SCHEMBL30959073	0.92	MAPK8 (0.59)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29479811	0.92	NPY2R (0.62)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30436596	0.92	MAPK8 (0.65)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL31183026	0.92	NPY2R (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29514899	0.91	KDM1A (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29514978	0.91	KDM1A (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30495701	0.91	NPY2R (0.64)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL29903341	0.90	NPY2R (0.66)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30804676	0.90	NPY2R (0.63)	KDM1ANPY2RNPY4RNPY5RNPY1R
SCHEMBL30432199	0.90	NPY2R (0.67)	KDM1ANPY2RNPY4RNPY5RNPY1R

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