SCHEMBL29679864

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	TFPI	P10646	4/20	0.56

▸	RAMP3	O60896	1/20	0.56

▸	CALCR	P30988	1/20	0.56

▸	NMUR2	Q9GZQ4	1/20	0.55

▸	NMUR1	Q9HB89	1/20	0.55

▸	KDM1A	O60341	1/20	0.55

▸	VIPR1	P32241	1/20	0.55

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
SCHEMBL30436596	0.92	MAPK8 (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL38666025	0.92	EP300 (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30432762	0.90	MAPK8 (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29545383	0.90	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30712935	0.90	NPY2R (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29680199	0.90	MAPK8 (0.54)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29903341	0.90	NPY2R (0.66)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30607334	0.90	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30262154	0.90	NPY2R (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30432199	0.90	NPY2R (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R

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