SCHEMBL29702470

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](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

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

▸	NPBWR1	P48145	1/20	0.52

▸	GLP1R	P43220	2/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	OPRD1	P41143	3/20	0.51

▸	OPRM1	P35372	2/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	VIPR1	P32241	1/20	0.51

▸	VIPR2	P41587	1/20	0.51

▸	NPY1R	P25929	2/20	0.51

▸	NPY2R	P49146	2/20	0.51

▸	NPY4R	P50391	2/20	0.51

▸	NPY5R	Q15761	2/20	0.51

▸	F2	P00734	1/20	0.51

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
SCHEMBL29702389	0.97	TFPI (0.54)	TFPINPBWR1OPRD1OPRM1OPRK1
SCHEMBL30567448	0.91	TFPI (0.59)	TFPIGLP1RVIPR1VIPR2F2
SCHEMBL30633108	0.90	KISS1R (0.61)	TFPIGLP1ROPRD1OPRM1OPRK1
SCHEMBL30567445	0.89	TFPI (0.61)	TFPIGLP1RVIPR1VIPR2
SCHEMBL30432094	0.88	VIPR1 (0.61)	TFPIGLP1RVIPR1VIPR2
SCHEMBL30567786	0.88	TFPI (0.58)	TFPIGLP1RVIPR1VIPR2
SCHEMBL30387150	0.88	VIPR2 (0.62)	TFPIGLP1ROPRD1OPRM1OPRK1
SCHEMBL29373287	0.87	TFPI (0.66)	TFPIGLP1ROPRD1OPRM1OPRK1
SCHEMBL30974623	0.87	TFPI (0.63)	TFPIGLP1RKEAP1VIPR1VIPR2
SCHEMBL31182852	0.86	TFPI (0.59)	TFPIGLP1RVIPR1VIPR2

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	disclosed