SCHEMBL29364358

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	4/20	0.57

▸	C5AR1	P21730	1/20	0.56

▸	RAMP3	O60896	9/20	0.52

▸	CALCR	P30988	9/20	0.52

▸	PLK1	P53350	1/20	0.51

▸	NMUR2	Q9GZQ4	1/20	0.50

▸	NMUR1	Q9HB89	1/20	0.50

▸	CXCR4	P61073	1/20	0.49

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
SCHEMBL29367188	0.94	APLNR (0.57)	APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL31529689	0.93	C5AR1 (0.54)	APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL29801157	0.92	APLNR (0.60)	APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL31529690	0.91	APLNR (0.60)	APLNRC5AR1RAMP3CALCRCXCR4
SCHEMBL30218690	0.89	APLNR (0.65)	APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL30311976	0.89	APLNR (0.65)	APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL30311901	0.89	APLNR (0.65)	APLNRC5AR1RAMP3CALCRPLK1
SCHEMBL30884605	0.86	RAMP3 (0.59)	APLNRC5AR1RAMP3CALCRNMUR2
SCHEMBL31688333	0.86	APLNR (0.65)	APLNRC5AR1RAMP3CALCR
SCHEMBL30884601	0.86	APLNR (0.58)	APLNRC5AR1RAMP3CALCRNMUR2

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
CN-113045672-B	Magnetic fluorescent composite probe for detecting matrix metalloproteinase-2 and preparation method and application thereof	甘肃省科学院传感技术研究所	2022-02-01	—	—	CN	claimed