SCHEMBL29723441

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)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.53

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	CXCL8	P10145	5/20	0.52

▸	OPRD1	P41143	3/20	0.51

▸	NTSR1	P30989	3/20	0.51

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
SCHEMBL29722989	0.94	CALCR (0.55)	CALCRCRHR1CRHR2CXCL8OPRD1
SCHEMBL29723093	0.94	NTSR2 (0.54)	CALCRCRHR1CRHR2CXCL8OPRD1
SCHEMBL29723134	0.93	CALCR (0.58)	CALCRCRHR1CRHR2OPRD1
SCHEMBL29722981	0.90	CXCL8 (0.50)	CALCRCRHR1CRHR2CXCL8NTSR1
SCHEMBL29723075	0.90	CALCR (0.58)	CALCRCRHR1CRHR2OPRD1NTSR1
SCHEMBL29723274	0.89	NTSR1 (0.51)	CXCL8NTSR1
SCHEMBL29723129	0.88	CALCR (0.56)	CALCRCRHR1CRHR2OPRD1
SCHEMBL31182968	0.84	CALCR (0.65)	CALCRCRHR1CRHR2
SCHEMBL29723433	0.84	F2 (0.50)	OPRD1NTSR1
SCHEMBL29723009	0.82	CALCR (0.50)	CALCRCRHR1CRHR2CXCL8OPRD1

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