SCHEMBL30581315

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

nearest known ligand 0.57

Predicted protein targets (top 14)

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

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	IL23R	Q5VWK5	1/20	0.50

▸	NPY2R	P49146	7/20	0.50

▸	NPY4R	P50391	7/20	0.50

▸	NPY5R	Q15761	7/20	0.50

▸	NPY1R	P25929	6/20	0.50

▸	NTSR2	O95665	4/20	0.49

▸	NTSR1	P30989	4/20	0.49

▸	SORT1	Q99523	3/20	0.49

▸	OXTR	P30559	1/20	0.48

▸	CALCR	P30988	1/20	0.47

▸	KDM1A	O60341	1/20	0.47

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
SCHEMBL30183954	0.98	MAPK8 (0.57)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30870068	0.98	MAPK8 (0.57)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30870073	0.98	MAPK8 (0.57)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30581282	0.98	MAPK8 (0.57)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30183813	0.96	MAPK8 (0.55)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30870045	0.96	MAPK8 (0.59)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30581313	0.95	MAPK8 (0.57)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30581295	0.94	MAPK8 (0.57)	MAPK8MAPK9MAPK10IL23RNPY2R
SCHEMBL30183645	0.93	MAPK8 (0.54)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30870039	0.93	MAPK8 (0.59)	MAPK8MAPK9MAPK10IL23RNPY2R

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