SCHEMBL30960478

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.66

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	APLNR	P35414	2/20	0.65

▸	F2	P00734	4/20	0.61

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	CXCR4	P61073	1/20	0.60

▸	C5AR1	P21730	1/20	0.59

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	2/20	0.57

▸	GCGR	P47871	2/20	0.57

▸	GIPR	P48546	2/20	0.57

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
SCHEMBL31182976	0.93	CALCR (0.70)	CALCRAPLNRF2CXCR4NPY1R
SCHEMBL30721584	0.92	CALCR (0.72)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30686831	0.92	CALCR (0.75)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30686819	0.92	CALCR (0.75)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30686823	0.92	CALCR (0.75)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30686825	0.92	CALCR (0.75)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30686828	0.92	CALCR (0.75)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30686821	0.92	CALCR (0.75)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30686830	0.92	CALCR (0.75)	CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30437180	0.91	CALCR (0.68)	CALCRAPLNRF2MAPK8MAPK9

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-118108808-A	Scylla paramamosain antibacterial polypeptide Scycin and application thereof	厦门大学	2024-05-31	—	—	CN	disclosed