SCHEMBL21985354

COC(C)NC(=O)[C@@H](NC(=O)C(CO)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.54

▸	CTSB	P07858	2/20	0.54

▸	CXCR4	P61073	6/20	0.47

▸	GNRHR	P30968	1/20	0.46

▸	GLP1R	P43220	6/20	0.45

▸	GIPR	P48546	6/20	0.45

▸	PTGS1	P23219	1/20	0.45

▸	GRPR	P30550	1/20	0.45

▸	NPBWR1	P48145	1/20	0.44

▸	OPRD1	P41143	1/20	0.44

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
SCHEMBL31019423	0.84	CAPN1 (0.53)	CAPN1CTSBCXCR4GRPROPRD1
SCHEMBL30608600	0.84	CAPN1 (0.51)	CAPN1CTSBCXCR4GNRHRGLP1R
SCHEMBL30906342	0.83	CAPN1 (0.53)	CAPN1CTSBGLP1RGIPROPRD1
SCHEMBL30608621	0.83	CAPN1 (0.50)	CAPN1CTSBCXCR4GLP1RGIPR
SCHEMBL30608611	0.83	CAPN1 (0.50)	CAPN1CTSBCXCR4GLP1RGIPR
SCHEMBL30608584	0.82	GLP1R (0.55)	CAPN1CTSBGLP1RGIPR
SCHEMBL30608612	0.81	GLP1R (0.52)	CAPN1CTSBCXCR4GLP1RGIPR
SCHEMBL30608592	0.81	CAPN1 (0.60)	CAPN1CTSBCXCR4GLP1RGIPR
SCHEMBL30608567	0.81	CAPN1 (0.60)	CAPN1CTSBCXCR4GLP1RGIPR
SCHEMBL30906366	0.81	NPY1R (0.53)	CAPN1CTSBCXCR4GLP1RGIPR

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-3650036-A1	SYNTHETIC PEPTIDES INDUCING IMMUNOGENIC CELL DEATH	SORBONNE UNIVERSITE (FR)	2020-05-13	—	—	EP	disclosed