SCHEMBL30495773

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

nearest known ligand 0.68

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.68

▸	VIPR1	P32241	4/20	0.63

▸	VIPR2	P41587	5/20	0.61

▸	PTH1R	Q03431	2/20	0.61

▸	GLP1R	P43220	2/20	0.59

▸	ECE1	P42892	1/20	0.59

▸	MUS81	Q96NY9	1/20	0.59

▸	CCKBR	P32239	1/20	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
SCHEMBL30176428	0.93	PTH1R (0.70)	TFPIVIPR1VIPR2PTH1RGLP1R
SCHEMBL29624097	0.93	VIPR1 (0.68)	TFPIVIPR1VIPR2PTH1RGLP1R
SCHEMBL31182711	0.93	VIPR1 (0.67)	TFPIVIPR1VIPR2PTH1RGLP1R
SCHEMBL29387006	0.93	TFPI (0.65)	TFPIVIPR1VIPR2PTH1RGLP1R
SCHEMBL30198769	0.93	TFPI (0.65)	TFPIVIPR1VIPR2PTH1R
SCHEMBL30423223	0.92	TFPI (0.64)	TFPIVIPR1VIPR2PTH1RGLP1R
SCHEMBL30495775	0.92	VIPR1 (0.70)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495732	0.91	VIPR1 (0.66)	TFPIVIPR1VIPR2PTH1RGLP1R
SCHEMBL31683281	0.91	VIPR1 (0.72)	TFPIVIPR1VIPR2GLP1RECE1
SCHEMBL30495651	0.91	VIPR2 (0.62)	TFPIVIPR1VIPR2PTH1RGLP1R

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