SCHEMBL8429424

C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	14/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	8/20	0.60

▸	NPY2R	P49146	5/20	0.56

▸	TFPI	P10646	1/20	0.55

▸	IL23R	Q5VWK5	1/20	0.53

▸	RAMP3	O60896	1/20	0.52

▸	CALCR	P30988	1/20	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
SCHEMBL8429395	0.90	OPRL1 (0.45)	NPY4RNPY5RNPY1RTFPIIL23R
SCHEMBL8431335	0.86	RAMP3 (0.47)	RAMP3CALCR
SCHEMBL31508144	0.85	NPY4R (0.65)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL30590517	0.83	NPY4R (0.54)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL29531768	0.83	NPY4R (0.62)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL30883265	0.83	TFPI (0.66)	NPY4RNPY5RNPY1RTFPIRAMP3
SCHEMBL29558352	0.83	NPY4R (0.54)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL30658559	0.83	NPY4R (0.58)	NPY4RNPY5RNPY1RNPY2R
SCHEMBL30906529	0.82	IL23R (0.55)	TFPIIL23R
SCHEMBL29531145	0.82	OPRD1 (0.54)	NPY4RNPY5RNPY1RNPY2RTFPI

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-5859187-A	Antiviral peptides	E. R. SQUIBB & SONS, INC. (US)	1999-01-12	—	—	US	disclosed