SCHEMBL30712935

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

nearest known ligand 0.76

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	MAPK8	P45983	1/20	0.63

▸	MAPK9	P45984	1/20	0.63

▸	MAPK10	P53779	1/20	0.63

▸	EP300	Q09472	1/20	0.63

▸	HIF1A	Q16665	1/20	0.63

▸	TFPI	P10646	4/20	0.60

▸	KEAP1	Q14145	1/20	0.59

▸	CALCR	P30988	3/20	0.59

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
SCHEMBL30607487	0.94	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30432762	0.93	MAPK8 (0.65)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182959	0.92	MAPK8 (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31182641	0.92	MAPK8 (0.63)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30658329	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31034480	0.91	RAMP3 (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30712922	0.90	MAPK8 (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29679864	0.90	MAPK8 (0.62)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL31255177	0.90	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30495791	0.90	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RMAPK8

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