SCHEMBL30712875

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

nearest known ligand 0.62

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.62

▸	OPRM1	P35372	6/20	0.61

▸	OPRD1	P41143	6/20	0.61

▸	OPRK1	P41145	5/20	0.61

▸	OPRL1	P41146	2/20	0.60

▸	BACE1	P56817	1/20	0.56

▸	KISS1R	Q969F8	3/20	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
SCHEMBL30262213	0.92	OPRM1 (0.58)	TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL30518887	0.91	BACE1 (0.64)	OPRM1OPRD1OPRK1BACE1
SCHEMBL30576978	0.91	VIPR1 (0.58)	TFPI
SCHEMBL30607447	0.91	CALCR (0.58)	TFPI
SCHEMBL30262191	0.90	BACE1 (0.59)	OPRM1OPRD1OPRK1BACE1
SCHEMBL30262125	0.90	TFPI (0.57)	TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL29461368	0.90	BACE1 (0.60)	TFPIOPRL1BACE1
SCHEMBL29373682	0.90	TFPI (0.68)	TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL30429493	0.90	OPRM1 (0.56)	TFPIOPRM1OPRD1OPRK1OPRL1
SCHEMBL30312048	0.89	BACE1 (0.60)	TFPIOPRM1OPRD1OPRK1BACE1

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