SCHEMBL29569487

NC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TACR1	P25103	1/20	0.59

▸	DPP3	Q9NY33	3/20	0.57

▸	CCKBR	P32239	5/20	0.55

▸	CCKAR	P32238	2/20	0.55

▸	CXCL8	P10145	5/20	0.54

▸	OPRM1	P35372	1/20	0.54

▸	NTSR2	O95665	1/20	0.53

▸	NTSR1	P30989	1/20	0.53

▸	SORT1	Q99523	1/20	0.53

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
SCHEMBL29878538	0.91	TACR1 (0.62)	TACR1DPP3CCKBRCCKAROPRM1
SCHEMBL30957019	0.91	DPP3 (0.61)	TACR1DPP3OPRM1NTSR2NTSR1
SCHEMBL31499403	0.91	DPP3 (0.60)	DPP3CCKBRCCKARCXCL8OPRM1
SCHEMBL31746148	0.91	DPP3 (0.58)	TACR1DPP3CCKBRCCKARCXCL8
SCHEMBL10599958	0.90	DPP3 (0.57)	TACR1DPP3CCKBRCCKARCXCL8
SCHEMBL10599944	0.90	DPP3 (0.57)	TACR1DPP3CCKBRCCKARCXCL8
SCHEMBL30957021	0.89	DPP3 (0.59)	TACR1DPP3CXCL8
SCHEMBL23273239	0.88	NTSR2 (0.60)	TACR1DPP3CXCL8NTSR2NTSR1
SCHEMBL31020751	0.88	DPP3 (0.59)	TACR1DPP3CXCL8OPRM1
SCHEMBL30310835	0.88	DPP3 (0.57)	TACR1DPP3CCKBRCCKAROPRM1

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-3320923-B1	FLUORESCENT IMAGING AGENTS	VISEN MEDICAL INC (US)	2022-04-06	—	—	EP	disclosed