SCHEMBL29805149

CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.48

▸	CRHR1	P34998	1/20	0.48

▸	CRHR2	Q13324	1/20	0.48

▸	KEAP1	Q14145	1/20	0.45

▸	GLP1R	P43220	5/20	0.45

▸	GRPR	P30550	1/20	0.45

▸	SCTR	P47872	1/20	0.43

▸	BACE1	P56817	1/20	0.43

▸	ERBB2	P04626	1/20	0.42

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
SCHEMBL31656529	0.89	CALCR (0.62)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL30763286	0.89	PTH1R (0.52)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL29805325	0.87	BACE1 (0.44)	GLP1RSCTRBACE1ERBB2
SCHEMBL29394869	0.87	PDCD1LG2 (0.42)	CALCRCRHR1CRHR2KEAP1GRPR
SCHEMBL31182576	0.85	PTH1R (0.58)	CALCRCRHR1CRHR2GLP1RSCTR
SCHEMBL29697123	0.85	BACE1 (0.47)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30358158	0.84	CALCR (0.57)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL31257073	0.83	MAGI3 (0.44)	GLP1RGRPRSCTRBACE1ERBB2
SCHEMBL30974284	0.83	GLP1R (0.46)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30320554	0.83	BACE1 (0.51)	GLP1RSCTRBACE1

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
EP-3060924-B1	PIF-TRANSFECTED CELLS AND METHODS OF USE	BIOINCEPT LLC (US)	2022-06-01	—	—	EP	disclosed