SCHEMBL29811013

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)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)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	5/20	0.57

▸	NMUR2	Q9GZQ4	4/20	0.56

▸	NMUR1	Q9HB89	4/20	0.56

▸	NTSR2	O95665	2/20	0.55

▸	NTSR1	P30989	2/20	0.55

▸	SORT1	Q99523	1/20	0.55

▸	KEAP1	Q14145	1/20	0.54

▸	APLNR	P35414	1/20	0.54

▸	EPHA2	P29317	1/20	0.54

▸	KDM1A	O60341	1/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	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
SCHEMBL31307278	0.90	NPY1R (0.64)	NMUR2NMUR1NTSR2NTSR1SORT1
SCHEMBL30176214	0.90	KDM1A (0.60)	NMUR2NMUR1KEAP1APLNRKDM1A
SCHEMBL30495807	0.88	NPY2R (0.62)	KDM1A
SCHEMBL29477190	0.88	TFPI (0.61)	NMUR2NMUR1KDM1A
SCHEMBL31187483	0.88	NMUR2 (0.63)	NMUR2NMUR1
SCHEMBL30432811	0.88	NPY2R (0.60)	EPHA2KDM1A
SCHEMBL31182587	0.87	NPY2R (0.66)	KDM1A
SCHEMBL30607311	0.87	KEAP1 (0.60)	NMUR2NMUR1KEAP1APLNRMAPK8
SCHEMBL29903370	0.87	NPY2R (0.64)	KEAP1KDM1AMAPK8MAPK9MAPK10
SCHEMBL30887978	0.87	KDM1A (0.61)	KEAP1KDM1A

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
US-20220291216-A1	PHARMACEUTICALS AND METHODS FOR TREATING HYPOXIA AND SCREENING METHODS THEREFOR	Dana Farber Cancer Insitute, Inc. (US)	2022-09-15	—	—	US	disclosed