SCHEMBL30495813

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

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

▸	VIPR1	P32241	3/20	0.58

▸	NR3C1	P04150	2/20	0.55

▸	VIPR2	P41587	3/20	0.55

▸	ECE1	P42892	1/20	0.55

▸	GLP1R	P43220	1/20	0.55

▸	MUS81	Q96NY9	1/20	0.55

▸	PTH1R	Q03431	2/20	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
SCHEMBL30435345	0.95	TFPI (0.71)	TFPIVIPR1NR3C1VIPR2ECE1
SCHEMBL29551264	0.93	TFPI (0.71)	TFPIVIPR1NR3C1VIPR2ECE1
SCHEMBL29851163	0.93	TFPI (0.71)	TFPIVIPR1NR3C1VIPR2ECE1
SCHEMBL30601869	0.91	TFPI (0.79)	TFPIVIPR1NR3C1VIPR2ECE1
SCHEMBL30436216	0.91	TFPI (0.79)	TFPIVIPR1NR3C1VIPR2ECE1
SCHEMBL31179921	0.90	TFPI (0.67)	TFPIVIPR1VIPR2GLP1RPTH1R
Misgurin SCHEMBL29509599	0.90	TFPI (0.72)	TFPIVIPR1NR3C1VIPR2ECE1
SCHEMBL29591183	0.90	TFPI (0.67)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL31145953	0.90	TFPI (0.59)	TFPIVIPR1ECE1GLP1RMUS81
SCHEMBL30642059	0.90	TFPI (0.66)	TFPIVIPR1VIPR2ECE1GLP1R

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-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed