SCHEMBL11665212

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)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	NTSR1	P30989	1/20	0.60

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	OPRD1	P41143	6/20	0.59

▸	OPRM1	P35372	4/20	0.59

▸	OPRK1	P41145	2/20	0.59

▸	RAMP3	O60896	1/20	0.57

▸	SLC6A2	P23975	1/20	0.55

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
SCHEMBL11665206	0.99	CALCR (0.62)	CALCRNTSR1CRHR1CRHR2OPRD1
SCHEMBL11651860	0.98	CALCR (0.64)	CALCRNTSR1CRHR1CRHR2OPRD1
SCHEMBL11652700	0.97	CALCR (0.64)	CALCRNTSR1CRHR1CRHR2OPRD1
SCHEMBL11651841	0.97	CALCR (0.65)	CALCRNTSR1CRHR1CRHR2OPRD1
SCHEMBL11664815	0.97	CALCR (0.62)	CALCRNTSR1CRHR1CRHR2OPRD1
SCHEMBL11667808	0.96	CALCR (0.63)	CALCRNTSR1CRHR1CRHR2OPRD1
SCHEMBL11652679	0.96	CALCR (0.65)	CALCRCRHR1CRHR2OPRD1OPRM1
SCHEMBL11662149	0.96	CALCR (0.66)	CALCRCRHR1CRHR2OPRD1OPRM1
SCHEMBL11664809	0.95	CALCR (0.63)	CALCRCRHR1CRHR2OPRD1OPRM1
SCHEMBL11667794	0.95	CALCR (0.64)	CALCRCRHR1CRHR2OPRD1OPRM1

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-4127526-A	ANALGESIC	VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY	1978-11-28	—	—	US	disclosed