SCHEMBL30974094

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	8/20	0.53

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	OPRM1	P35372	3/20	0.50

▸	OPRD1	P41143	3/20	0.50

▸	OPRK1	P41145	2/20	0.50

▸	BACE1	P56817	4/20	0.50

▸	BACE2	Q9Y5Z0	3/20	0.50

▸	TFPI	P10646	1/20	0.49

▸	IL1RN	P18510	1/20	0.49

▸	ERAP2	Q6P179	1/20	0.49

▸	IL23R	Q5VWK5	1/20	0.48

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
SCHEMBL30974431	0.95	KISS1R (0.53)	KISS1RNPY1RNPY2RNPY4ROPRM1
SCHEMBL31369292	0.90	KISS1R (0.57)	KISS1RNPY1RNPY2RNPY4RBACE1
SCHEMBL30350026	0.90	KISS1R (0.56)	KISS1RNPY1RNPY2RNPY4ROPRM1
SCHEMBL31369291	0.89	KISS1R (0.61)	KISS1RBACE1BACE2TFPIIL23R
SCHEMBL29520890	0.89	BACE1 (0.57)	KISS1RNPY1RNPY2RNPY4RBACE1
SCHEMBL30974311	0.87	KISS1R (0.58)	KISS1RNPY1RNPY2RNPY4ROPRM1
SCHEMBL31000915	0.86	BACE1 (0.59)	KISS1RBACE1BACE2TFPI
SCHEMBL30726528	0.86	BACE1 (0.56)	KISS1RBACE1BACE2TFPI
SCHEMBL31462099	0.86	BACE1 (0.66)	BACE1BACE2TFPI
SCHEMBL30512662	0.86	NPY4R (0.62)	KISS1RNPY1RNPY2RNPY4RBACE1

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
WO-2024132726-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	claimed