SCHEMBL11662149

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.66

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	OPRM1	P35372	2/20	0.61

▸	OPRD1	P41143	2/20	0.61

▸	OPRK1	P41145	2/20	0.61

▸	NPY2R	P49146	7/20	0.59

▸	NPY4R	P50391	7/20	0.59

▸	NPY5R	Q15761	7/20	0.59

▸	NPY1R	P25929	5/20	0.59

▸	TFPI	P10646	1/20	0.58

▸	GLP1R	P43220	3/20	0.58

▸	GCGR	P47871	3/20	0.58

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
SCHEMBL11662077	0.99	CALCR (0.67)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11659064	0.98	CALCR (0.66)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11651860	0.98	CALCR (0.64)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11652700	0.98	CALCR (0.64)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11658979	0.97	CALCR (0.66)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11667808	0.97	CALCR (0.63)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11652679	0.96	CALCR (0.65)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11651841	0.96	CALCR (0.65)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11664815	0.96	CALCR (0.62)	CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11665212	0.96	CALCR (0.62)	CALCRCRHR1CRHR2OPRM1OPRD1

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-4127529-A	ANALGESIC	VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY	1978-11-28	—	—	US	disclosed