SCHEMBL29800494

C[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.44

▸	OPRD1	P41143	4/20	0.44

▸	NMUR2	Q9GZQ4	3/20	0.42

▸	NMUR1	Q9HB89	3/20	0.42

▸	RAMP3	O60896	8/20	0.41

▸	CALCR	P30988	8/20	0.41

▸	APLNR	P35414	1/20	0.39

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
SCHEMBL29904041	0.94	APLNR (0.41)	OPRM1OPRD1NMUR2NMUR1APLNR
SCHEMBL30493464	0.93	APLNR (0.42)	OPRM1OPRD1NMUR2NMUR1RAMP3
SCHEMBL29800885	0.91	NAA50 (0.47)	OPRM1OPRD1NMUR2NMUR1APLNR
SCHEMBL29801129	0.90	PTPN1 (0.45)	OPRD1NMUR2NMUR1RAMP3CALCR
SCHEMBL29904042	0.89	APLNR (0.42)	OPRM1OPRD1NMUR2NMUR1APLNR
SCHEMBL29569246	0.89	NTSR1 (0.44)	OPRD1APLNR
SCHEMBL29800900	0.88	NTSR1 (0.48)	OPRD1
SCHEMBL30933089	0.88	NAA50 (0.48)	NMUR2NMUR1RAMP3CALCRAPLNR
SCHEMBL5495351	0.87	NAA50 (0.54)	NMUR2NMUR1RAMP3CALCRAPLNR
SCHEMBL29801041	0.87	OPRM1 (0.55)	OPRM1OPRD1NMUR2NMUR1RAMP3

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
CN-109422799-B	Docetaxel liver cancer-resisting targeted prodrug and medicinal application thereof	复旦大学	2022-07-29	—	—	CN	claimed
CN-109422799-B	Docetaxel liver cancer-resisting targeted prodrug and medicinal application thereof	复旦大学	2022-07-29	—	—	CN	disclosed