SCHEMBL29722981

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	7/20	0.50

▸	NTSR1	P30989	7/20	0.48

▸	NTSR2	O95665	6/20	0.48

▸	SORT1	Q99523	5/20	0.48

▸	F2	P00734	2/20	0.48

▸	CALCR	P30988	1/20	0.47

▸	CRHR1	P34998	1/20	0.47

▸	CRHR2	Q13324	1/20	0.47

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
SCHEMBL29723274	0.95	NTSR1 (0.51)	CXCL8NTSR1NTSR2SORT1F2
SCHEMBL29723093	0.92	NTSR2 (0.54)	CXCL8NTSR1NTSR2SORT1F2
SCHEMBL29723441	0.90	CALCR (0.53)	CXCL8NTSR1CALCRCRHR1CRHR2
SCHEMBL29723433	0.90	F2 (0.50)	NTSR1NTSR2SORT1F2
SCHEMBL29722989	0.89	CALCR (0.55)	CXCL8NTSR1CALCRCRHR1CRHR2
SCHEMBL29723134	0.87	CALCR (0.58)	CALCRCRHR1CRHR2
SCHEMBL29723075	0.84	CALCR (0.58)	NTSR1NTSR2SORT1CALCRCRHR1
SCHEMBL29723217	0.83	XIAP (0.51)	NTSR1NTSR2SORT1F2
SCHEMBL30946064	0.82	SLC6A2 (0.56)	NTSR1NTSR2SORT1
SCHEMBL31042472	0.80	GLP1R (0.55)	NTSR1NTSR2F2CALCR

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
EP-3538543-B1	PROTRANSDUZIN-S - AN ENHANCER OF GENE TRANSFER	PHARIS BIOTEC GMBH (DE)	2022-06-08	—	—	EP	claimed
EP-3538543-B1	PROTRANSDUZIN-S - AN ENHANCER OF GENE TRANSFER	PHARIS BIOTEC GMBH (DE)	2022-06-08	—	—	EP	disclosed