SCHEMBL29680032

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	NPY2R	P49146	6/20	0.55

▸	NPY4R	P50391	6/20	0.55

▸	NPY5R	Q15761	6/20	0.55

▸	NPY1R	P25929	4/20	0.55

▸	NTSR1	P30989	2/20	0.55

▸	NTSR2	O95665	1/20	0.55

▸	F2	P00734	2/20	0.55

▸	CALCR	P30988	2/20	0.54

▸	REN	P00797	3/20	0.54

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
SCHEMBL29679496	0.91	CALCR (0.61)	NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL30804679	0.88	MAPK8 (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30648484	0.86	CALCR (0.62)	NPY2RNPY4RNPY5RNPY1RNTSR1
SCHEMBL30432215	0.86	CALCR (0.57)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29501056	0.86	NPY2R (0.56)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607467	0.86	CALCR (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30437162	0.85	F2 (0.60)	NPY2RNPY4RNPY5RNPY1RF2
SCHEMBL31182783	0.85	CALCR (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30567780	0.85	F2 (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30571162	0.85	F2 (0.61)	NTSR1NTSR2F2CALCR

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