SCHEMBL29679941

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	12/20	0.54

▸	CALCRL	Q16602	1/20	0.51

▸	F2	P00734	2/20	0.50

▸	KEAP1	Q14145	1/20	0.50

▸	GHSR	Q92847	1/20	0.47

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
SCHEMBL29591839	0.89	REN (0.54)	RENCALCRLF2KEAP1GHSR
SCHEMBL31554825	0.84	KEAP1 (0.43)	RENCALCRLKEAP1
SCHEMBL29461464	0.84	KEAP1 (0.62)	RENCALCRLKEAP1
SCHEMBL31461931	0.84	REN (0.56)	RENCALCRLKEAP1
SCHEMBL31461879	0.82	REN (0.54)	RENCALCRLKEAP1
SCHEMBL29679934	0.82	F2 (0.52)	CALCRLF2
SCHEMBL29376375	0.81	KEAP1 (0.60)	RENKEAP1
SCHEMBL30565595	0.81	REN (0.56)	RENF2GHSR
SCHEMBL30565600	0.81	REN (0.56)	RENF2GHSR
SCHEMBL31124659	0.81	NTSR2 (0.56)	REN

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
WO-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	disclosed