SCHEMBL29797140

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 9)

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

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	OPRD1	P41143	5/20	0.59

▸	F2	P00734	4/20	0.58

▸	NPY2R	P49146	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NPY5R	Q15761	3/20	0.56

▸	NPY1R	P25929	2/20	0.56

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
SCHEMBL29797076	0.95	CALCR (0.64)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL29356926	0.92	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31332022	0.92	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL6238339	0.92	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL11663083	0.92	CALCR (0.71)	CALCRCRHR1CRHR2OPRD1NPY2R
SCHEMBL11667572	0.92	CALCR (0.71)	CALCRCRHR1CRHR2OPRD1NPY2R
SCHEMBL29636950	0.91	CALCR (0.72)	CALCRCRHR1CRHR2OPRD1NPY2R
SCHEMBL11662997	0.91	CALCR (0.71)	CALCRCRHR1CRHR2OPRD1NPY2R
SCHEMBL11657089	0.91	CALCR (0.71)	CALCRCRHR1CRHR2OPRD1NPY2R
SCHEMBL11662340	0.91	CALCR (0.70)	CALCRCRHR1CRHR2OPRD1NPY2R

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-20220259267-A9	Inhibition Of TCR Signaling With Peptide Variants	SIGNABLOK, INC.	2022-08-18	—	—	US	disclosed