SCHEMBL29860120

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

nearest known ligand 0.64

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	6/20	0.64

▸	NTSR1	P30989	5/20	0.62

▸	NTSR2	O95665	4/20	0.62

▸	SORT1	Q99523	3/20	0.59

▸	OPRD1	P41143	3/20	0.58

▸	AGTR2	P50052	2/20	0.57

▸	AGTR1	P30556	1/20	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
SCHEMBL24195742	0.93	F2 (0.65)	F2NTSR1NTSR2OPRD1
SCHEMBL29860392	0.91	NTSR1 (0.64)	NTSR1NTSR2SORT1AGTR2AGTR1
SCHEMBL30637760	0.91	NTSR1 (0.64)	NTSR1NTSR2SORT1AGTR2AGTR1
SCHEMBL30323863	0.90	NTSR1 (0.63)	F2NTSR1NTSR2SORT1OPRD1
SCHEMBL31084238	0.89	F2 (0.62)	F2NTSR1NTSR2SORT1
SCHEMBL28366588	0.89	NMUR2 (0.65)	F2NTSR1NTSR2
SCHEMBL30921554	0.89	SLC6A2 (0.67)	NTSR1NTSR2SORT1
SCHEMBL28111222	0.89	F2 (0.63)	F2NTSR1NTSR2SORT1
SCHEMBL23278082	0.88	NMUR2 (0.64)	F2NTSR1OPRD1
SCHEMBL29389211	0.88	NMUR2 (0.64)	F2NTSR1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4291647-A1	SUBTILISIN VARIANTS AND THEIR USE	Fresenius Kabi iPSUM S.r.l. (IT)	2023-12-20	—	—	EP	disclosed
WO-2022171667-A1	SUBTILISIN VARIANTS AND THEIR USE	Fresenius Kabi Ipsum S.R.L. (IT)	2022-08-18	—	—	WO	disclosed