SCHEMBL30437374

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

nearest known ligand 0.63

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.63

▸	VIPR2	P41587	7/20	0.60

▸	VIPR1	P32241	5/20	0.59

▸	GLP1R	P43220	6/20	0.55

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	1/20	0.55

▸	CCKBR	P32239	1/20	0.55

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
SCHEMBL29974215	0.90	TFPI (0.68)	TFPI
SCHEMBL29364983	0.90	TFPI (0.63)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL30168746	0.89	VIPR2 (0.57)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL29836350	0.89	VIPR2 (0.57)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL29531101	0.89	TFPI (0.69)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL30231937	0.88	TFPI (0.63)	TFPIVIPR2VIPR1GLP1RCCKBR
SCHEMBL29580308	0.88	TFPI (0.68)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL30012720	0.88	TFPI (0.68)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL30538334	0.88	TFPI (0.67)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL29777861	0.87	TFPI (0.62)	TFPIVIPR2VIPR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116103323-B	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2024-10-22	—	—	CN	disclosed
CN-116103323-A	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2023-05-12	—	—	CN	disclosed