SCHEMBL30831406

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	1/20	0.60

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

▸	GLP1R	P43220	9/20	0.60

▸	CCKBR	P32239	2/20	0.60

▸	CALCR	P30988	4/20	0.57

▸	F2	P00734	2/20	0.57

▸	CXCR4	P61073	1/20	0.56

▸	CXCL8	P10145	1/20	0.56

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
SCHEMBL29479799	0.91	NPY1R (0.64)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30831408	0.90	NPY1R (0.68)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30495749	0.90	NPY1R (0.63)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906539	0.89	NPY1R (0.67)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30567706	0.89	GLP1R (0.70)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30906368	0.89	NPY2R (0.65)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29812704	0.88	NPY1R (0.65)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29393488	0.88	NPY1R (0.62)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL30958882	0.87	CALCR (0.69)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29706271	0.87	GLP1R (0.64)	NPY1RNPY2RNPY4RNPY5RGLP1R

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
US-20240092846-A1	ENGINEERED CYCLOTIDES WITH POTENT BROAD ANTIMICROBIAL ACTIVITY	NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT	2024-03-21	—	—	US	disclosed