SCHEMBL19234992

C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccc(C(N)=O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSS)NC(=O)[C@@H](N)Cc1ccc(Cl)cc1)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY4R	P50391	15/20	0.53

▸	NPY1R	P25929	9/20	0.53

▸	NPY5R	Q15761	8/20	0.53

▸	NPY2R	P49146	5/20	0.53

▸	OPRM1	P35372	1/20	0.52

▸	OPRD1	P41143	1/20	0.52

▸	OPRK1	P41145	1/20	0.52

▸	OPRL1	P41146	2/20	0.45

▸	KEAP1	Q14145	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
SCHEMBL19234708	0.92	OPRD1 (0.51)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL19234984	0.85	OPRM1 (0.50)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL19234660	0.83	OPRM1 (0.48)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL19234873	0.82	OPRM1 (0.48)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL19234662	0.81	OPRM1 (0.49)	OPRM1OPRD1OPRK1OPRL1KEAP1
SCHEMBL19234637	0.81	OPRM1 (0.46)	OPRM1OPRD1OPRK1KEAP1
SCHEMBL13563459	0.76	NPY4R (0.77)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL15681487	0.76	NPY4R (0.77)	NPY4RNPY1RNPY5RNPY2R
SCHEMBL29511585	0.75	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL24324967	0.75	NPY4R (0.53)	NPY4RNPY1RNPY5RNPY2R

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-2017136943-A1	SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME	CDRD VENTURES INC. (CA)	2017-08-17	—	—	WO	disclosed