SCHEMBL29679830

CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.46

▸	MAPK9	P45984	1/20	0.46

▸	MAPK10	P53779	1/20	0.46

▸	VIPR2	P41587	6/20	0.43

▸	VIPR1	P32241	4/20	0.42

▸	NPY4R	P50391	8/20	0.40

▸	NPY2R	P49146	7/20	0.40

▸	NPY5R	Q15761	7/20	0.40

▸	NPY1R	P25929	5/20	0.40

▸	KISS1R	Q969F8	3/20	0.40

▸	NFE2L2	Q16236	1/20	0.40

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
SCHEMBL29679695	0.95	MAPK8 (0.48)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29680146	0.95	MAPK8 (0.48)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29680176	0.94	MAPK8 (0.49)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29679680	0.94	MAPK8 (0.48)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29679884	0.94	MAPK8 (0.43)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL30085019	0.90	NPY4R (0.43)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL30483686	0.88	VIPR2 (0.48)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29995282	0.87	NPY4R (0.45)	NPY4RNPY2RNPY5RNPY1R
SCHEMBL30239619	0.86	NPY4R (0.43)	MAPK8MAPK9MAPK10VIPR2VIPR1
SCHEMBL29679715	0.85	BACE1 (0.41)	MAPK8MAPK9MAPK10VIPR2NPY4R

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	claimed