SCHEMBL30429493

CC(C)C[C@H](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](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	2/20	0.56

▸	OPRD1	P41143	2/20	0.56

▸	TFPI	P10646	1/20	0.56

▸	OPRK1	P41145	1/20	0.56

▸	OPRL1	P41146	3/20	0.54

▸	KISS1R	Q969F8	3/20	0.52

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
SCHEMBL30712875	0.90	TFPI (0.62)	OPRM1OPRD1TFPIOPRK1OPRL1
SCHEMBL30432406	0.89	TFPI (0.61)	OPRM1OPRD1TFPIOPRK1
SCHEMBL30607447	0.89	CALCR (0.58)	TFPI
SCHEMBL30576978	0.88	VIPR1 (0.58)	TFPI
SCHEMBL30312048	0.88	BACE1 (0.60)	OPRM1OPRD1TFPIOPRK1
SCHEMBL30262213	0.88	OPRM1 (0.58)	OPRM1OPRD1TFPIOPRK1
SCHEMBL31183014	0.88	GLP1R (0.63)	TFPI
SCHEMBL30712876	0.88	OPRM1 (0.54)	OPRM1OPRD1TFPIOPRK1OPRL1
SCHEMBL31140113	0.87	VIPR2 (0.53)	OPRM1OPRD1OPRK1
SCHEMBL29461368	0.87	BACE1 (0.60)	TFPIOPRL1

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-20230165951-A1	Engineering, production and characterization of plant produced Nucleocapsid and Spike structural proteins of SARS CoV 2 as vaccine candidates against COVID19	MAMEDOV TARLAN (TR)	2023-06-01	—	—	US	disclosed