SCHEMBL6232463

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

nearest known ligand 0.64

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NTSR2	O95665	15/20	0.64

▸	NTSR1	P30989	15/20	0.64

▸	SORT1	Q99523	15/20	0.64

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	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
SCHEMBL6232455	1.00	NTSR2 (0.64)	NTSR2NTSR1SORT1MAPK8MAPK9
SCHEMBL7461158	0.90	NTSR2 (0.64)	NTSR2NTSR1SORT1
SCHEMBL31738532	0.90	NTSR1 (0.76)	NTSR2NTSR1SORT1
SCHEMBL1421598	0.89	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL1421605	0.89	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL1421513	0.89	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL1421525	0.89	NTSR1 (0.72)	NTSR2NTSR1SORT1
SCHEMBL30320546	0.89	MAPK8 (0.59)	NTSR2NTSR1SORT1MAPK8MAPK9
SCHEMBL1421931	0.88	OPRD1 (0.69)	NTSR2NTSR1SORT1
SCHEMBL1421888	0.88	OPRD1 (0.69)	NTSR2NTSR1SORT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1002233-B1	HIGH-THROUGHPUT ASSAY	PHARMACOPEIA INC (US)	2005-04-27	—	—	EP	disclosed
US-5876946-A	High-throughput assay	PHARMACOPEIA, INC. (US)	1999-03-02	—	—	US	disclosed