SCHEMBL29496468

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

nearest known ligand 0.55

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.55

▸	NPY4R	P50391	4/20	0.54

▸	NPY5R	Q15761	4/20	0.54

▸	NPY1R	P25929	3/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	OPRM1	P35372	3/20	0.54

▸	OPRD1	P41143	3/20	0.54

▸	OPRK1	P41145	1/20	0.53

▸	KEAP1	Q14145	2/20	0.53

▸	IL23R	Q5VWK5	8/20	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
SCHEMBL29658141	0.89	NPY4R (0.53)	NPY4RNPY5RNPY1RNPY2ROPRM1
SCHEMBL14588774	0.88	TFPI (0.60)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30413575	0.88	IL23R (0.62)	TFPIIL23R
SCHEMBL30363514	0.88	NPY4R (0.59)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL29375862	0.86	NPY4R (0.62)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL31229192	0.86	F2 (0.59)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL29700033	0.86	NPY4R (0.54)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL29388572	0.86	TFPI (0.63)	TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL31085370	0.85	NPY4R (0.50)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL29794248	0.85	NPY4R (0.56)	NPY4RNPY5RNPY1RNPY2R

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
EP-3969467-A2	VARIANT SINGLE-CHAIN INSULIN ANALOGUES	CASE WESTERN RESERVE UNIVERSITY (US)	2022-03-23	—	—	EP	disclosed