SCHEMBL30804668

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	OPRL1	P41146	4/20	0.49

▸	GLP1R	P43220	2/20	0.49

▸	GCGR	P47871	1/20	0.49

▸	GIPR	P48546	1/20	0.49

▸	VIPR1	P32241	2/20	0.48

▸	CCKBR	P32239	1/20	0.48

▸	TFPI	P10646	1/20	0.47

▸	RXFP1	Q9HBX9	1/20	0.46

▸	BACE1	P56817	1/20	0.46

▸	PTH1R	Q03431	1/20	0.46

▸	VIPR2	P41587	2/20	0.45

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
SCHEMBL9058969	0.90	GLP1R (0.52)	OPRL1GLP1RGCGRGIPRVIPR1
SCHEMBL9058977	0.90	GLP1R (0.52)	OPRL1GLP1RGCGRGIPRVIPR1
SCHEMBL30495729	0.89	TFPI (0.51)	GLP1RGCGRGIPRVIPR1CCKBR
SCHEMBL30431362	0.87	OPRL1 (0.54)	OPRL1VIPR1TFPI
SCHEMBL29561758	0.86	VIPR2 (0.50)	GLP1RGCGRGIPRVIPR1CCKBR
SCHEMBL30159188	0.85	PTH1R (0.57)	GLP1RVIPR1CCKBRRXFP1BACE1
SCHEMBL16055575	0.85	RXFP1 (0.48)	OPRL1GLP1RGCGRGIPRTFPI
SCHEMBL29901573	0.85	GLP1R (0.51)	GLP1RGCGRGIPRVIPR1CCKBR
Parasin I SCHEMBL29412266	0.84	OPRL1 (0.52)	OPRL1TFPI
SCHEMBL30432774	0.84	OPRL1 (0.53)	OPRL1RXFP1

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-117467671-A	Corn ear number regulation gene ZmEN1, expression product, excellent haplotype and application	河南农业大学	2024-01-30	—	—	CN	disclosed