SCHEMBL30767700

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MC4R	P32245	1/20	0.60

▸	F2	P00734	4/20	0.57

▸	CALCR	P30988	4/20	0.57

▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	1/20	0.55

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	C5AR1	P21730	1/20	0.52

▸	NMBR	P28336	1/20	0.52

▸	GRPR	P30550	1/20	0.52

▸	APLNR	P35414	1/20	0.51

▸	CXCR4	P61073	2/20	0.51

▸	TFPI	P10646	1/20	0.51

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
SCHEMBL30767705	0.92	MC4R (0.64)	MC4RF2C5AR1APLNRCXCR4
SCHEMBL30767711	0.89	MC4R (0.64)	MC4RF2C5AR1APLNRCXCR4
SCHEMBL30437151	0.89	F2 (0.63)	MC4RF2CALCRCRHR1CRHR2
SCHEMBL30432393	0.86	F2 (0.72)	MC4RF2CALCRCRHR1CRHR2
SCHEMBL29767365	0.86	CALCR (0.64)	MC4RF2CALCRCRHR1CRHR2
SCHEMBL30495705	0.85	CALCR (0.69)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL16684358	0.84	F2 (0.65)	MC4RF2CALCRAPLNR
SCHEMBL29865880	0.84	CALCR (0.57)	MC4RF2CALCRCRHR1CRHR2
SCHEMBL30495663	0.84	F2 (0.71)	F2CALCRCRHR1CRHR2HCRTR1
SCHEMBL30974059	0.84	F2 (0.52)	MC4RF2CALCRCRHR1CRHR2

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-117327152-A	Digestion-resistant linear epitope peptide of penaeus vannamei allergen and application thereof	大连工业大学	2024-01-02	—	—	CN	disclosed