SCHEMBL29410245

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.59

▸	VIPR2	P41587	5/20	0.59

▸	GLP1R	P43220	8/20	0.58

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	VIPR1	P32241	4/20	0.57

▸	CCKBR	P32239	1/20	0.57

▸	PTH1R	Q03431	1/20	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
SCHEMBL30607312	0.94	GLP1R (0.60)	CALCRVIPR2GLP1RCRHR1CRHR2
SCHEMBL30970990	0.91	GLP1R (0.71)	CALCRVIPR2GLP1RVIPR1CCKBR
SCHEMBL31182531	0.90	VIPR2 (0.62)	CALCRVIPR2GLP1RVIPR1
SCHEMBL31182441	0.90	GLP1R (0.66)	CALCRVIPR2GLP1RCRHR1CRHR2
SCHEMBL30432505	0.90	GLP1R (0.66)	CALCRGLP1RCRHR1CRHR2VIPR1
SCHEMBL15787075	0.90	CALCR (0.64)	CALCRVIPR2GLP1RCRHR1CRHR2
SCHEMBL29939727	0.90	GLP1R (0.72)	CALCRGLP1RVIPR1CCKBR
SCHEMBL31182509	0.90	CALCR (0.66)	CALCRGLP1RCRHR1CRHR2VIPR1
SCHEMBL25303269	0.89	CALCR (0.66)	CALCRVIPR2GLP1RCRHR1CRHR2
SCHEMBL29628018	0.89	CALCR (0.66)	CALCRVIPR2GLP1RCRHR1CRHR2

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