SCHEMBL30753755

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	HCRTR1	O43613	1/20	0.58

▸	HCRTR2	O43614	1/20	0.58

▸	C5AR1	P21730	2/20	0.57

▸	F2	P00734	4/20	0.57

▸	MC4R	P32245	1/20	0.55

▸	CXCR4	P61073	2/20	0.55

▸	OPRM1	P35372	2/20	0.55

▸	OPRD1	P41143	2/20	0.55

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

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
SCHEMBL30233460	0.96	CALCR (0.59)	CALCRHCRTR1HCRTR2C5AR1F2
SCHEMBL30233411	0.95	CALCR (0.63)	CALCRHCRTR1HCRTR2C5AR1F2
SCHEMBL30753760	0.94	C5AR1 (0.64)	CALCRC5AR1MC4RCXCR4OPRM1
SCHEMBL30788341	0.93	CALCR (0.58)	CALCRHCRTR1HCRTR2C5AR1F2
SCHEMBL30788338	0.92	F2 (0.58)	CALCRHCRTR1HCRTR2C5AR1F2
SCHEMBL30788353	0.92	CALCR (0.60)	CALCRHCRTR1HCRTR2C5AR1F2
SCHEMBL30233449	0.92	CALCR (0.58)	CALCRC5AR1F2OPRM1OPRD1
SCHEMBL30233337	0.92	CALCR (0.60)	CALCRHCRTR1HCRTR2C5AR1F2
SCHEMBL30753756	0.90	NMUR2 (0.61)	CALCRC5AR1CXCR4OPRM1OPRD1
SCHEMBL30753761	0.90	OPRD1 (0.61)	CALCROPRM1OPRD1

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-20240041740-A1	SKIN PEEL COMPOSITIONS	GLO PHARMA INC (US)	2024-02-08	—	—	US	disclosed