SCHEMBL29962395

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

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.67

▸	VIPR1	P32241	4/20	0.62

▸	GLP1R	P43220	3/20	0.59

▸	VIPR2	P41587	5/20	0.59

▸	ECE1	P42892	1/20	0.59

▸	MUS81	Q96NY9	1/20	0.59

▸	PTH1R	Q03431	1/20	0.58

▸	NPY2R	P49146	3/20	0.58

▸	NPY4R	P50391	3/20	0.58

▸	NPY5R	Q15761	3/20	0.58

▸	NPY1R	P25929	2/20	0.58

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
SCHEMBL29962060	1.00	TFPI (0.67)	TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL29962685	0.98	TFPI (0.66)	TFPIVIPR1GLP1RVIPR2PTH1R
SCHEMBL29519384	0.96	TFPI (0.68)	TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL30495814	0.93	VIPR1 (0.71)	TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL30695558	0.93	TFPI (0.78)	TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL30495775	0.92	VIPR1 (0.70)	TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL31255288	0.91	TFPI (0.61)	TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL29702365	0.91	TFPI (0.78)	TFPIVIPR1GLP1RVIPR2NPY2R
SCHEMBL31664369	0.90	TFPI (0.64)	TFPIVIPR1GLP1RVIPR2ECE1
SCHEMBL30432064	0.90	VIPR1 (0.67)	TFPIVIPR1GLP1RVIPR2ECE1

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-112480234-B	Bioactive peptide AAGGYDVEKNNSRIKLGLK and preparation method and application thereof	上海交通大学	2022-10-04	—	—	CN	claimed