SCHEMBL30887981

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCA	P06881	2/20	0.65

▸	NPY1R	P25929	1/20	0.65

▸	NPY2R	P49146	1/20	0.65

▸	NPY4R	P50391	1/20	0.65

▸	NPY5R	Q15761	1/20	0.65

▸	KISS1R	Q969F8	4/20	0.63

▸	IL23R	Q5VWK5	1/20	0.62

▸	CXCR4	P61073	5/20	0.61

▸	GLP1R	P43220	3/20	0.59

▸	GCGR	P47871	2/20	0.59

▸	TFPI	P10646	2/20	0.59

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
SCHEMBL30567307	0.91	NPY1R (0.67)	CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL31182712	0.88	NPY2R (0.69)	CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL30456690	0.88	NPY2R (0.68)	CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29993191	0.88	IL23R (0.66)	CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL29972944	0.88	NPY1R (0.69)	CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL31182571	0.88	NPY2R (0.71)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31182525	0.88	NPY2R (0.67)	NPY1RNPY2RNPY4RNPY5RCXCR4
SCHEMBL31183030	0.87	NPY1R (0.67)	CALCANPY1RNPY2RNPY4RNPY5R
SCHEMBL31182815	0.87	NPY2R (0.73)	NPY1RNPY2RNPY4RNPY5RCXCR4
Melittin SCHEMBL19458851	0.87	CXCR4 (0.66)	CALCANPY1RNPY2RNPY4RNPY5R

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
CN-117164668-B	Polypeptide compound, composition and use thereof	青岛双元泰和药业有限公司	2024-05-10	—	—	CN	disclosed