SCHEMBL30571148

CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 10)

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

▸	GLP1R	P43220	6/20	0.59

▸	VIPR1	P32241	2/20	0.57

▸	GCGR	P47871	1/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	1/20	0.55

▸	NR3C1	P04150	1/20	0.55

▸	CALCR	P30988	1/20	0.55

▸	VIPR2	P41587	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
SCHEMBL30836920	0.93	TFPI (0.66)	TFPIGLP1RVIPR1GCGRGIPR
SCHEMBL30271991	0.93	TFPI (0.66)	TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30271990	0.93	TFPI (0.67)	TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30861920	0.91	TFPI (0.65)	TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30607319	0.90	TFPI (0.71)	TFPIGLP1RVIPR1GCGRGIPR
SCHEMBL30576973	0.89	GLP1R (0.64)	TFPIGLP1RVIPR1
SCHEMBL30120636	0.89	TFPI (0.66)	TFPIGLP1RVIPR1NR3C1
SCHEMBL30721553	0.89	TFPI (0.66)	TFPIGLP1RVIPR1ECE1MUS81
SCHEMBL30721600	0.88	TFPI (0.64)	TFPIGLP1RVIPR1GCGRGIPR
SCHEMBL30429902	0.88	TFPI (0.68)	TFPIGLP1RVIPR1NR3C1

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
US-20230263881-A1	Vaccine compositions for SARS-related coronaviruses and methods of use	ASCIONE RICHARD (US)	2023-08-24	—	—	US	disclosed