SCHEMBL30062703

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	4/20	0.51

▸	KEAP1	Q14145	2/20	0.37

▸	OPRM1	P35372	2/20	0.37

▸	OPRD1	P41143	2/20	0.37

▸	BACE1	P56817	3/20	0.35

▸	CTSD	P07339	2/20	0.35

▸	RAMP1	O60894	1/20	0.34

▸	REN	P00797	1/20	0.34

▸	KDM1A	O60341	1/20	0.34

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
SCHEMBL29590422	0.89	OPRM1 (0.42)	CALCRLKEAP1OPRM1OPRD1BACE1
SCHEMBL30353294	0.86	CALCRL (0.49)	CALCRLBACE1
SCHEMBL31203094	0.86	CALCRL (0.43)	CALCRLKEAP1OPRM1OPRD1BACE1
SCHEMBL30005793	0.85	CALCRL (0.40)	CALCRLBACE1
SCHEMBL29641658	0.82	CALCRL (0.45)	CALCRLBACE1REN
SCHEMBL30423389	0.82	DPP7 (0.41)	CALCRLREN
SCHEMBL38659950	0.82	CALCRL (0.43)	CALCRLKEAP1RAMP1RENKDM1A
SCHEMBL30511778	0.81	DPP7 (0.42)	CALCRLREN
SCHEMBL29926499	0.81	CALCRL (0.41)	CALCRLOPRM1OPRD1BACE1CTSD
SCHEMBL29356386	0.81	BACE1 (0.43)	CALCRLBACE1

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
US-20220340646-A1	THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMENTIA	OSAKA CITY UNIVERSITY (JP)	2022-10-27	—	—	US	disclosed