SCHEMBL30581297

CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](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)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)(C)S)[C@@H](C)O

nearest known ligand 0.47

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.47

▸	MAPK9	P45984	1/20	0.47

▸	MAPK10	P53779	1/20	0.47

▸	KEAP1	Q14145	2/20	0.46

▸	NTSR2	O95665	3/20	0.45

▸	NTSR1	P30989	3/20	0.45

▸	SORT1	Q99523	2/20	0.44

▸	VIPR2	P41587	3/20	0.44

▸	IL23R	Q5VWK5	4/20	0.44

▸	NPY2R	P49146	6/20	0.44

▸	NPY4R	P50391	6/20	0.44

▸	NPY5R	Q15761	6/20	0.44

▸	NPY1R	P25929	4/20	0.44

▸	VIPR1	P32241	1/20	0.44

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
SCHEMBL30581272	0.97	NTSR2 (0.49)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30581280	0.97	NTSR2 (0.49)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30581316	0.97	NTSR2 (0.49)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30581309	0.97	NTSR2 (0.48)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30870083	0.96	MAPK8 (0.49)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30581274	0.96	MAPK8 (0.47)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30870034	0.95	MAPK8 (0.48)	MAPK8MAPK9MAPK10KEAP1VIPR2
SCHEMBL30183389	0.95	MAPK8 (0.48)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30183800	0.95	MAPK8 (0.48)	MAPK8MAPK9MAPK10KEAP1NTSR2
SCHEMBL30870071	0.95	MAPK8 (0.48)	MAPK8MAPK9MAPK10KEAP1NTSR2

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