SCHEMBL29800893

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR1	P30989	4/20	0.54

▸	OPRD1	P41143	6/20	0.53

▸	NTSR2	O95665	2/20	0.50

▸	MAPK8	P45983	1/20	0.49

▸	MAPK9	P45984	1/20	0.49

▸	MAPK10	P53779	1/20	0.49

▸	F2	P00734	2/20	0.48

▸	OPRM1	P35372	1/20	0.48

▸	PTPN1	P18031	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
SCHEMBL31067243	0.95	OPRD1 (0.54)	NTSR1OPRD1NTSR2F2OPRM1
SCHEMBL29800900	0.93	NTSR1 (0.48)	NTSR1OPRD1NTSR2MAPK8MAPK9
SCHEMBL31067241	0.91	NTSR1 (0.55)	NTSR1OPRD1NTSR2F2OPRM1
SCHEMBL29569246	0.89	NTSR1 (0.44)	NTSR1OPRD1NTSR2MAPK8MAPK9
SCHEMBL30918791	0.89	OPRD1 (0.55)	OPRD1F2OPRM1
SCHEMBL29801041	0.87	OPRM1 (0.55)	NTSR1OPRD1OPRM1
SCHEMBL28062744	0.87	OPRD1 (0.58)	NTSR1OPRD1MAPK8MAPK9MAPK10
SCHEMBL29801129	0.86	PTPN1 (0.45)	NTSR1OPRD1F2PTPN1
SCHEMBL29904119	0.86	MAGI3 (0.52)	NTSR1PTPN1
SCHEMBL31226869	0.86	NTSR1 (0.60)	NTSR1OPRD1NTSR2F2

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