SCHEMBL31070800

CC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	3/20	0.58

▸	OPRM1	P35372	2/20	0.58

▸	CCKAR	P32238	1/20	0.57

▸	CCKBR	P32239	1/20	0.57

▸	PSMB8	P28062	5/20	0.55

▸	REN	P00797	3/20	0.52

▸	ACE	P12821	1/20	0.52

▸	ECE1	P42892	2/20	0.51

▸	LTA4H	P09960	1/20	0.51

▸	PSMB5	P28074	2/20	0.51

▸	PSMB9	P28065	1/20	0.51

▸	MAGI3	Q5TCQ9	1/20	0.51

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
SCHEMBL31483647	0.93	OPRD1 (0.60)	OPRD1OPRM1CCKARCCKBRPSMB8
SCHEMBL18556705	0.85	OPRD1 (0.63)	OPRD1OPRM1CCKARCCKBRECE1
SCHEMBL29564479	0.84	OPRD1 (0.61)	OPRD1OPRM1CCKARCCKBRLTA4H
SCHEMBL30051562	0.84	OPRM1 (0.60)	OPRD1OPRM1ACEECE1LTA4H
SCHEMBL30799582	0.83	OPRD1 (0.56)	OPRD1OPRM1CCKARCCKBRPSMB8
SCHEMBL30051669	0.82	OPRM1 (0.59)	OPRD1OPRM1ACEECE1
SCHEMBL30091409	0.81	REN (0.57)	PSMB8REN
SCHEMBL30490003	0.81	GHSR (0.65)	MAGI3
SCHEMBL29434598	0.80	EDNRA (0.65)	ACEECE1MAGI3
SCHEMBL25037250	0.80	OPRD1 (0.72)	OPRD1OPRM1CCKARCCKBR

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-118563342-A	Modification method of indole skeleton-containing compound under electrochemical condition	浙江工业大学	2024-08-30	—	—	CN	disclosed