SCHEMBL30862326

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.70

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

▸	CRHR1	P34998	1/20	0.59

▸	CRHR2	Q13324	1/20	0.59

▸	GLP1R	P43220	5/20	0.58

▸	GCGR	P47871	1/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	CXCR4	P61073	1/20	0.56

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	NPY2R	P49146	2/20	0.55

▸	NPY4R	P50391	2/20	0.55

▸	NPY5R	Q15761	2/20	0.55

▸	NPY1R	P25929	1/20	0.55

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
SCHEMBL31182792	0.92	CALCR (0.76)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30495680	0.91	CALCR (0.65)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL29558891	0.90	CALCR (0.68)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30658358	0.90	CALCR (0.77)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL31656508	0.89	CALCR (0.78)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30646299	0.89	MAPK8 (0.63)	CALCRGLP1RGCGRGIPRCXCR4
SCHEMBL29416036	0.89	MAPK8 (0.63)	CALCRGLP1RGCGRGIPRCXCR4
SCHEMBL30434997	0.89	CALCR (0.65)	CALCRCRHR1CRHR2MAPK8MAPK9
SCHEMBL30576927	0.89	CALCR (0.65)	CALCRHCRTR1HCRTR2CRHR1CRHR2
SCHEMBL30495801	0.88	CALCR (0.76)	CALCRHCRTR1HCRTR2CRHR1CRHR2

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-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed