SCHEMBL29617104

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

nearest known ligand 0.49

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.49

▸	APLNR	P35414	1/20	0.46

▸	GRPR	P30550	4/20	0.46

▸	BACE1	P56817	3/20	0.45

▸	CRHR1	P34998	1/20	0.44

▸	CRHR2	Q13324	1/20	0.44

▸	KEAP1	Q14145	1/20	0.42

▸	PTH1R	Q03431	1/20	0.42

▸	RXFP1	Q9HBX9	1/20	0.41

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
SCHEMBL29617087	0.96	CALCR (0.53)	CALCRAPLNRGRPRBACE1CRHR1
SCHEMBL29617108	0.94	CALCR (0.51)	CALCRAPLNRGRPRBACE1
SCHEMBL30437302	0.88	CALCR (0.54)	CALCRGRPRBACE1CRHR1CRHR2
SCHEMBL29416070	0.85	APLNR (0.59)	CALCRAPLNRBACE1CRHR1CRHR2
SCHEMBL29695580	0.85	CALCR (0.57)	CALCRBACE1CRHR1CRHR2
SCHEMBL31182575	0.83	TFPI (0.63)	CALCRGRPR
SCHEMBL30772230	0.82	CALCR (0.60)	CALCRCRHR1CRHR2KEAP1
SCHEMBL30184234	0.81	CALCR (0.49)	CALCRGRPRBACE1
SCHEMBL30184074	0.81	CALCR (0.48)	CALCRGRPRCRHR1CRHR2
SCHEMBL31622472	0.81	CALCR (0.55)	CALCRBACE1

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
CN-114478703-A	Lacquer seed meal protein peptide with good emulsifying property and preparation method thereof	陕西师范大学	2022-05-13	—	—	CN	disclosed