SCHEMBL30767174

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.74

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	5/20	0.70

▸	NPY4R	P50391	5/20	0.70

▸	NPY5R	Q15761	5/20	0.70

▸	NPY1R	P25929	4/20	0.70

▸	GLP1R	P43220	7/20	0.68

▸	CALCR	P30988	3/20	0.66

▸	GCGR	P47871	3/20	0.66

▸	CXCR4	P61073	3/20	0.65

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
SCHEMBL30767155	1.00	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30658398	0.91	NPY1R (0.70)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30932069	0.91	GLP1R (0.74)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30485540	0.90	NPY1R (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31232412	0.90	NPY1R (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30519736	0.90	NPY2R (0.73)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31199099	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL31182694	0.90	CXCR4 (0.71)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL30495596	0.90	CXCR4 (0.68)	NPY2RNPY4RNPY5RNPY1RGLP1R
SCHEMBL29652635	0.89	NPY1R (0.72)	NPY2RNPY4RNPY5RNPY1RGLP1R

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-117466968-A	Synthetic method of multi-pair disulfide bond polypeptide	吉尔生化（上海）有限公司	2024-01-30	—	—	CN	disclosed