SCHEMBL29410240

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=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 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.69

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	F2	P00734	4/20	0.64

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	NPY2R	P49146	5/20	0.55

▸	NPY4R	P50391	5/20	0.55

▸	NPY5R	Q15761	5/20	0.55

▸	NPY1R	P25929	3/20	0.55

▸	NTSR1	P30989	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
SCHEMBL31182659	0.92	CALCR (0.74)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL29410250	0.90	CALCR (0.72)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30824284	0.90	CALCR (0.64)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL31182779	0.89	CALCR (0.83)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30932076	0.89	CALCR (0.82)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30176470	0.89	CALCR (0.73)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL29679847	0.89	F2 (0.63)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30432408	0.88	CALCR (0.71)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30658230	0.88	CALCR (0.79)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30495715	0.88	CALCR (0.68)	CALCRCRHR1CRHR2F2HCRTR1

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-11274129-B2	Methods for protein tyrosine phosphorylation profiling with variant SH2 domains	Li, Shun-Cheng (CA)	2022-03-15	—	—	US	disclosed