SCHEMBL30712924

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

nearest known ligand 0.61

Predicted protein targets (top 10)

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

▸	OPRD1	P41143	7/20	0.58

▸	BACE1	P56817	2/20	0.57

▸	BACE2	Q9Y5Z0	1/20	0.57

▸	CCKAR	P32238	3/20	0.56

▸	CCKBR	P32239	3/20	0.56

▸	VIPR2	P41587	3/20	0.56

▸	VIPR1	P32241	3/20	0.55

▸	OPRM1	P35372	2/20	0.54

▸	OPRK1	P41145	2/20	0.54

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
SCHEMBL30712949	0.91	TFPI (0.59)	TFPIOPRD1BACE1BACE2VIPR2
SCHEMBL31243858	0.91	TFPI (0.55)	TFPIOPRD1OPRM1OPRK1
SCHEMBL31243861	0.91	OPRD1 (0.62)	TFPIOPRD1CCKARCCKBROPRM1
SCHEMBL29701318	0.90	OPRD1 (0.57)	OPRD1CCKARCCKBROPRM1OPRK1
SCHEMBL29815608	0.89	TFPI (0.61)	TFPIVIPR2VIPR1
SCHEMBL31243945	0.89	OPRD1 (0.56)	TFPIOPRD1CCKARCCKBROPRM1
SCHEMBL29373682	0.88	TFPI (0.68)	TFPIOPRD1BACE1BACE2VIPR2
SCHEMBL31243883	0.88	BACE1 (0.56)	TFPIOPRD1BACE1BACE2VIPR2
SCHEMBL30387150	0.88	VIPR2 (0.62)	TFPIOPRD1BACE1VIPR2VIPR1
SCHEMBL31688322	0.88	VIPR2 (0.57)	TFPIBACE1VIPR2VIPR1

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed