SCHEMBL29679731

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

nearest known ligand 0.63

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	4/20	0.63

▸	BACE1	P56817	15/20	0.60

▸	CTSD	P07339	1/20	0.58

▸	RAMP1	O60894	1/20	0.58

▸	BACE2	Q9Y5Z0	3/20	0.57

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
SCHEMBL30429125	0.88	NPY2R (0.59)	CALCRL
SCHEMBL14358294	0.87	BACE1 (0.64)	CALCRLBACE1CTSDBACE2
SCHEMBL30085011	0.87	SLC6A2 (0.65)	CALCRLBACE1BACE2
SCHEMBL31182993	0.87	OPRM1 (0.65)	—
SCHEMBL30123059	0.87	CALCRL (0.61)	CALCRLBACE1RAMP1BACE2
SCHEMBL31575697	0.87	CALCRL (0.63)	CALCRLBACE1RAMP1
SCHEMBL14341921	0.86	BACE1 (0.62)	CALCRLBACE1CTSDBACE2
SCHEMBL29679944	0.86	CALCRL (0.56)	CALCRLBACE1RAMP1
SCHEMBL30262208	0.86	CALCRL (0.75)	CALCRLBACE1RAMP1BACE2
SCHEMBL30974423	0.86	NTSR1 (0.58)	CALCRLBACE1BACE2

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