SCHEMBL31255288

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

nearest known ligand 0.61

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.61

▸	VIPR2	P41587	6/20	0.60

▸	VIPR1	P32241	4/20	0.59

▸	GLP1R	P43220	8/20	0.58

▸	ECE1	P42892	1/20	0.58

▸	MUS81	Q96NY9	1/20	0.58

▸	PTH1R	Q03431	1/20	0.56

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
SCHEMBL30607476	0.91	TFPI (0.67)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL29962395	0.91	TFPI (0.67)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL29962060	0.91	TFPI (0.67)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL30495814	0.91	VIPR1 (0.71)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL30495717	0.91	TFPI (0.66)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL31664369	0.90	TFPI (0.64)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL29962685	0.89	TFPI (0.66)	TFPIVIPR2VIPR1GLP1RPTH1R
SCHEMBL30495775	0.89	VIPR1 (0.70)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL29519384	0.89	TFPI (0.68)	TFPIVIPR2VIPR1GLP1RECE1
SCHEMBL30432064	0.88	VIPR1 (0.67)	TFPIVIPR2VIPR1GLP1RECE1

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-118773141-A	Hybridoma cell strain for producing thymidine kinase 1 (TK 1) monoclonal antibody, antibody and colloidal gold test strip and application thereof	江南大学	2024-10-15	—	—	CN	disclosed