SCHEMBL30581322

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

nearest known ligand 0.57

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	NPY2R	P49146	7/20	0.52

▸	NPY4R	P50391	7/20	0.52

▸	NPY5R	Q15761	7/20	0.52

▸	NPY1R	P25929	5/20	0.52

▸	NTSR2	O95665	5/20	0.52

▸	NTSR1	P30989	5/20	0.52

▸	SORT1	Q99523	4/20	0.52

▸	IL23R	Q5VWK5	1/20	0.51

▸	KDM1A	O60341	2/20	0.50

▸	MAOB	P27338	1/20	0.50

▸	KDM5A	P29375	1/20	0.50

▸	KDM1B	Q8NB78	1/20	0.50

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
SCHEMBL30581310	1.00	MAPK8 (0.57)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581288	1.00	MAPK8 (0.57)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581295	0.98	MAPK8 (0.57)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581328	0.97	MAPK8 (0.56)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581291	0.97	MAPK8 (0.56)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581308	0.97	MAPK8 (0.54)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581283	0.96	MAPK8 (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581271	0.96	MAPK8 (0.53)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581333	0.95	MAPK8 (0.57)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30581294	0.95	MAPK8 (0.61)	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 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