SCHEMBL29702389

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

nearest known ligand 0.54

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.54

▸	NPBWR1	P48145	2/20	0.53

▸	OPRD1	P41143	4/20	0.52

▸	OPRM1	P35372	3/20	0.52

▸	F2	P00734	2/20	0.52

▸	NTSR2	O95665	1/20	0.51

▸	NTSR1	P30989	1/20	0.51

▸	OPRK1	P41145	2/20	0.51

▸	NPY1R	P25929	2/20	0.50

▸	NPY2R	P49146	2/20	0.50

▸	NPY4R	P50391	2/20	0.50

▸	NPY5R	Q15761	2/20	0.50

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
SCHEMBL29702470	0.97	TFPI (0.54)	TFPINPBWR1OPRD1OPRM1F2
SCHEMBL30567448	0.90	TFPI (0.59)	TFPIF2
SCHEMBL30567445	0.89	TFPI (0.61)	TFPI
SCHEMBL30633108	0.87	KISS1R (0.61)	TFPIOPRD1OPRM1OPRK1
SCHEMBL30176475	0.87	TFPI (0.64)	TFPIOPRD1OPRM1OPRK1
SCHEMBL31257031	0.86	OPRD1 (0.53)	OPRD1OPRM1OPRK1
SCHEMBL30900783	0.86	TFPI (0.58)	TFPINPBWR1OPRD1OPRM1OPRK1
SCHEMBL30708073	0.86	F2 (0.58)	TFPINPBWR1F2
SCHEMBL29375967	0.86	TFPI (0.59)	TFPINPBWR1OPRD1OPRM1OPRK1
SCHEMBL29376413	0.85	TFPI (0.56)	TFPINPBWR1OPRD1OPRM1OPRK1

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
WO-2022156620-A1	BROAD-SPECTRUM CORONAVIRUS MEMBRANE FUSION INHIBITOR AND PHARMACEUTICAL USE THEREOF	成都奥达生物科技有限公司	2022-07-28	—	—	WO	claimed