SCHEMBL11833339

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

nearest known ligand 0.47

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	15/20	0.47

▸	NPY1R	P25929	9/20	0.47

▸	NPY5R	Q15761	8/20	0.47

▸	NPY2R	P49146	5/20	0.47

▸	TFPI	P10646	1/20	0.46

▸	RXFP1	Q9HBX9	1/20	0.45

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
SCHEMBL11829756	0.97	NPY4R (0.49)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL11826950	0.96	NPY4R (0.49)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL11841346	0.91	OPRM1 (0.46)	—
SCHEMBL11832854	0.91	OPRM1 (0.46)	—
SCHEMBL31410682	0.90	NPY4R (0.46)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30358534	0.89	RXFP1 (0.52)	TFPIRXFP1
SCHEMBL30124571	0.87	NPY4R (0.45)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29929055	0.87	TFPI (0.54)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL8062296	0.87	KEAP1 (0.45)	NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL8062301	0.87	KEAP1 (0.45)	NPY4RNPY1RNPY5RNPY2RTFPI

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-3987014-A	SECRETIN INTERMEDIATES AND DERIVATIVES	BECTON, DICKINSON AND COMPANY (US)	1976-10-19	—	—	US	claimed