SCHEMBL30320514

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	KISS1R	Q969F8	2/20	0.54

▸	GLP1R	P43220	6/20	0.54

▸	VIPR1	P32241	3/20	0.53

▸	VIPR2	P41587	3/20	0.52

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
SCHEMBL30038033	0.88	KISS1R (0.61)	TFPIKISS1R
SCHEMBL30567445	0.87	TFPI (0.61)	TFPIGLP1RVIPR1VIPR2
SCHEMBL30574778	0.87	GLP1R (0.56)	TFPIGLP1RVIPR1VIPR2
SCHEMBL29367381	0.86	OPRD1 (0.55)	—
SCHEMBL30844087	0.86	TFPI (0.57)	TFPIGLP1RVIPR1VIPR2
SCHEMBL29836420	0.86	TFPI (0.59)	TFPIGLP1RVIPR1
SCHEMBL29836357	0.85	F2 (0.59)	TFPIGLP1R
SCHEMBL30861917	0.85	TFPI (0.61)	TFPIGLP1R
SCHEMBL30176433	0.85	BACE1 (0.57)	TFPIKISS1RGLP1RVIPR1VIPR2
SCHEMBL30423123	0.85	BACE1 (0.59)	TFPIGLP1RVIPR1

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-111269289-B	Tumor cell affinity peptide separated from venenum bufonis and screening method thereof	南京中医药大学	2023-04-18	—	—	CN	disclosed