SCHEMBL29822648

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

nearest known ligand 0.64

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	NPY2R	P49146	8/20	0.51

▸	NPY4R	P50391	8/20	0.51

▸	NPY5R	Q15761	8/20	0.51

▸	NPY1R	P25929	6/20	0.51

▸	CALCR	P30988	3/20	0.49

▸	EP300	Q09472	1/20	0.48

▸	HIF1A	Q16665	1/20	0.48

▸	KEAP1	Q14145	1/20	0.47

▸	GLP1R	P43220	1/20	0.46

▸	KDM1A	O60341	1/20	0.46

▸	MAOB	P27338	1/20	0.46

▸	KDM5A	P29375	1/20	0.46

▸	KDM1B	Q8NB78	1/20	0.46

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
SCHEMBL31260574	0.88	NTSR1 (0.50)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30633112	0.88	NTSR1 (0.50)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29822478	0.86	MAPK8 (0.51)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30433468	0.86	CALCR (0.55)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29655958	0.85	MAPK8 (0.52)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30435678	0.85	NPY2R (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31255209	0.85	CALCR (0.59)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29805310	0.85	NPY2R (0.57)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182834	0.85	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31260576	0.84	NPY2R (0.49)	MAPK8MAPK9MAPK10NPY2RNPY4R

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-20220229065-A1	SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION	BAMBU VAULT LLC (US)	2022-07-21	—	—	US	disclosed