SCHEMBL29743013

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.59

▸	GLP1R	P43220	6/20	0.58

▸	GCGR	P47871	4/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	NMBR	P28336	2/20	0.58

▸	GRPR	P30550	2/20	0.58

▸	CXCR4	P61073	3/20	0.58

▸	KEAP1	Q14145	1/20	0.57

▸	CCKBR	P32239	2/20	0.56

▸	CALCR	P30988	3/20	0.56

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

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
SCHEMBL30906336	0.91	GLP1R (0.61)	C5AR1GLP1RGCGRGIPRNMBR
SCHEMBL30571153	0.90	NMBR (0.65)	C5AR1GLP1RGCGRGIPRNMBR
SCHEMBL29416113	0.89	CXCR4 (0.63)	C5AR1GLP1RGCGRNMBRGRPR
SCHEMBL30668090	0.89	C5AR1 (0.59)	C5AR1GLP1RGCGRGIPRNMBR
SCHEMBL29695449	0.89	GLP1R (0.58)	C5AR1GLP1RGCGRGIPRNMBR
SCHEMBL30540291	0.88	CALCR (0.61)	GLP1RGCGRNMBRGRPRCXCR4
SCHEMBL31452912	0.88	GLP1R (0.64)	C5AR1GLP1RGCGRGIPRCXCR4
SCHEMBL30883220	0.88	CXCR4 (0.64)	C5AR1GLP1RGCGRNMBRGRPR
SCHEMBL29904606	0.87	NMBR (0.60)	C5AR1GLP1RGCGRNMBRGRPR
SCHEMBL29993874	0.87	C5AR1 (0.61)	C5AR1GLP1RGCGRGIPRNMBR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11851664-B2	Methods for producing biochemicals using enzyme genes derived from a strain of Brevundimonas, and compositions made thereby	Oakbio, Inc. (US)	2023-12-26	—	—	US	disclosed
US-20220204979-A1	METHODS FOR PRODUCING BIOCHEMICALS USING ENZYME GENES DERIVED FROM A STRAIN OF BREVUNDIMONAS, AND COMPOSITIONS MADE THEREBY	ARCOLOGY INC. (DBA BIOSPHERE)	2022-06-30	—	—	US	disclosed