SCHEMBL30969929

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	5/20	0.58

▸	NTSR2	O95665	11/20	0.58

▸	NTSR1	P30989	11/20	0.58

▸	SORT1	Q99523	9/20	0.57

▸	AGTR2	P50052	3/20	0.57

▸	AGTR1	P30556	2/20	0.57

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
SCHEMBL29463723	0.93	AGTR2 (0.59)	F2NTSR2NTSR1SORT1AGTR2
SCHEMBL29860392	0.93	NTSR1 (0.64)	NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL30637760	0.93	NTSR1 (0.64)	NTSR2NTSR1SORT1AGTR2AGTR1
SCHEMBL29580406	0.90	NTSR1 (0.63)	F2NTSR2NTSR1SORT1
SCHEMBL30921554	0.89	SLC6A2 (0.67)	NTSR2NTSR1SORT1
SCHEMBL28111222	0.89	F2 (0.63)	F2NTSR2NTSR1SORT1
SCHEMBL30607406	0.88	NPY2R (0.61)	F2NTSR2NTSR1
SCHEMBL29860120	0.88	F2 (0.64)	F2NTSR2NTSR1SORT1AGTR2
SCHEMBL2039247	0.88	NTSR1 (0.69)	NTSR2NTSR1SORT1
SCHEMBL30176449	0.87	CALCR (0.60)	F2NTSR2NTSR1SORT1

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-107531698-B	Fused bicyclic heteroaryl derivatives having activity as PHD inhibitors	武田药品工业株式会社	2024-08-13	—	—	CN	disclosed