SCHEMBL30161997

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1	P41145	6/20	0.61

▸	LTA4H	P09960	1/20	0.55

▸	REN	P00797	1/20	0.55

▸	OPRM1	P35372	1/20	0.53

▸	OPRD1	P41143	1/20	0.53

▸	NPY1R	P25929	1/20	0.52

▸	NPY2R	P49146	1/20	0.52

▸	NPY4R	P50391	1/20	0.52

▸	MME	P08473	1/20	0.52

▸	KISS1R	Q969F8	1/20	0.51

▸	BACE1	P56817	1/20	0.51

▸	ERAP2	Q6P179	1/20	0.50

▸	LNPEP	Q9UIQ6	1/20	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
SCHEMBL31528272	1.00	OPRK1 (0.61)	OPRK1LTA4HRENOPRM1OPRD1
SCHEMBL31571357	1.00	OPRK1 (0.61)	OPRK1LTA4HRENOPRM1OPRD1
SCHEMBL31134068	0.97	OPRK1 (0.62)	OPRK1LTA4HRENOPRM1OPRD1
SCHEMBL30064697	0.95	OPRK1 (0.63)	OPRK1LTA4HNPY1RNPY2RNPY4R
SCHEMBL29531598	0.95	OPRK1 (0.63)	OPRK1LTA4HNPY1RNPY2RNPY4R
SCHEMBL31134058	0.93	NPY4R (0.61)	OPRK1NPY1RNPY2RNPY4RBACE1
SCHEMBL29446993	0.93	OPRK1 (0.60)	OPRK1RENNPY1RNPY2RNPY4R
SCHEMBL31528247	0.93	OPRK1 (0.60)	OPRK1RENNPY1RNPY2RNPY4R
SCHEMBL31138045	0.93	OPRK1 (0.66)	OPRK1LTA4HOPRM1NPY1RNPY2R
SCHEMBL30292597	0.93	OPRK1 (0.66)	OPRK1LTA4HOPRM1NPY1RNPY2R

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
CN-112522283-B	Pollen development related gene and application thereof	浙江大学	2023-01-03	—	—	CN	disclosed