SCHEMBL29440833

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	8/20	0.54

▸	OPRK1	P41145	8/20	0.54

▸	APLNR	P35414	1/20	0.51

▸	TFPI	P10646	4/20	0.50

▸	RAMP3	O60896	3/20	0.50

▸	CALCR	P30988	3/20	0.50

▸	OPRD1	P41143	1/20	0.48

▸	CALCA	P06881	1/20	0.48

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
SCHEMBL29440832	0.95	OPRM1 (0.53)	OPRM1OPRK1APLNRTFPIRAMP3
SCHEMBL29569360	0.87	APLNR (0.47)	OPRM1OPRK1APLNRRAMP3CALCR
SCHEMBL29569644	0.87	APLNR (0.47)	OPRM1OPRK1APLNRRAMP3CALCR
SCHEMBL29569088	0.87	PLK1 (0.49)	OPRM1OPRK1APLNRRAMP3CALCR
SCHEMBL31433260	0.86	RAMP3 (0.55)	APLNRRAMP3CALCR
SCHEMBL31433268	0.86	RAMP3 (0.55)	APLNRRAMP3CALCR
SCHEMBL29889179	0.85	NMUR2 (0.47)	OPRM1OPRK1RAMP3CALCR
SCHEMBL29828754	0.85	TFPI (0.46)	TFPIRAMP3CALCR
SCHEMBL29568528	0.85	RAMP3 (0.50)	OPRM1OPRK1RAMP3CALCROPRD1
SCHEMBL29568631	0.85	RAMP3 (0.50)	OPRM1OPRK1RAMP3CALCROPRD1

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-110193087-B	Tumor microenvironment response type diagnosis and treatment integrated nanoprobe and preparation method thereof	山西医科大学	2022-02-08	—	—	CN	disclosed