SCHEMBL30581301

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.61

▸	MAPK9	P45984	1/20	0.61

▸	MAPK10	P53779	1/20	0.61

▸	NTSR2	O95665	6/20	0.55

▸	NTSR1	P30989	6/20	0.55

▸	SORT1	Q99523	4/20	0.55

▸	NPY2R	P49146	7/20	0.54

▸	NPY4R	P50391	7/20	0.54

▸	NPY5R	Q15761	7/20	0.54

▸	NPY1R	P25929	5/20	0.54

▸	IL23R	Q5VWK5	1/20	0.54

▸	KDM1A	O60341	1/20	0.52

▸	MAOB	P27338	1/20	0.52

▸	KDM5A	P29375	1/20	0.52

▸	KDM1B	Q8NB78	1/20	0.52

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
SCHEMBL30581294	1.00	MAPK8 (0.61)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581283	0.99	MAPK8 (0.60)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581329	0.99	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581320	0.99	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581307	0.99	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581305	0.99	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581276	0.99	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581284	0.99	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581327	0.98	MAPK8 (0.58)	MAPK8MAPK9MAPK10NTSR2NTSR1
SCHEMBL30581286	0.97	MAPK8 (0.59)	MAPK8MAPK9MAPK10NTSR2NTSR1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20230295234-A1	ANTIMICROBIAL PEPTIDOMIMETICS	SPEXIS AG (CH)	2023-09-21	—	—	US	claimed
US-20230295234-A1	ANTIMICROBIAL PEPTIDOMIMETICS	SPEXIS AG (CH)	2023-09-21	—	—	US	disclosed