SCHEMBL29794087

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

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	5/20	0.58

▸	C5AR1	P21730	2/20	0.56

▸	APLNR	P35414	3/20	0.55

▸	CALCR	P30988	4/20	0.55

▸	MC4R	P32245	1/20	0.54

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	OPRM1	P35372	1/20	0.52

▸	OPRD1	P41143	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
SCHEMBL35210093	0.91	C5AR1 (0.65)	F2C5AR1MC4R
SCHEMBL29794051	0.91	C5AR1 (0.66)	F2C5AR1
SCHEMBL29794005	0.89	C5AR1 (0.66)	F2C5AR1MC4R
SCHEMBL30974096	0.88	CALCR (0.62)	F2C5AR1CALCRCRHR1CRHR2
SCHEMBL29655724	0.88	F2 (0.60)	F2C5AR1APLNRMC4R
SCHEMBL30600019	0.88	C5AR1 (0.67)	F2C5AR1
SCHEMBL31757090	0.88	C5AR1 (0.67)	F2C5AR1
SCHEMBL29390561	0.88	C5AR1 (0.67)	F2C5AR1
SCHEMBL32659744	0.88	C5AR1 (0.67)	F2C5AR1
SCHEMBL29793968	0.87	C5AR1 (0.67)	F2C5AR1APLNRMC4R

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
EP-4051402-A1	CELL SELECTION AND/OR STIMULATION DEVICES AND METHODS OF USE	Juno Therapeutics GmbH (DE)	2022-09-07	—	—	EP	disclosed