SCHEMBL6861253

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	4/20	0.59

▸	NMUR2	Q9GZQ4	3/20	0.59

▸	NMUR1	Q9HB89	3/20	0.59

▸	NTSR1	P30989	4/20	0.59

▸	NTSR2	O95665	3/20	0.58

▸	EPHA2	P29317	2/20	0.57

▸	SORT1	Q99523	2/20	0.57

▸	AGTR1	P30556	2/20	0.56

▸	AGTR2	P50052	2/20	0.56

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
SCHEMBL29361340	0.97	OPRD1 (0.58)	OPRD1NMUR2NMUR1NTSR1NTSR2
SCHEMBL30034783	0.86	NTSR2 (0.73)	NTSR1NTSR2SORT1
SCHEMBL30037824	0.86	NTSR2 (0.73)	NTSR1NTSR2SORT1
SCHEMBL1421605	0.86	NTSR1 (0.72)	OPRD1NTSR1NTSR2SORT1
SCHEMBL1421598	0.86	NTSR1 (0.72)	OPRD1NTSR1NTSR2SORT1
SCHEMBL1421513	0.86	NTSR1 (0.72)	OPRD1NTSR1NTSR2SORT1
SCHEMBL1421525	0.86	NTSR1 (0.72)	OPRD1NTSR1NTSR2SORT1
SCHEMBL30753221	0.86	NMUR2 (0.61)	OPRD1NMUR2NMUR1NTSR1NTSR2
SCHEMBL28366588	0.86	NMUR2 (0.65)	NMUR2NMUR1NTSR1NTSR2
SCHEMBL23278082	0.85	NMUR2 (0.64)	OPRD1NMUR2NMUR1NTSR1

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-6794490-B2	PEPTIDES FOR USE IN PREVENTION OF INFECTIONS; BACTERICIDES; MICROBIOCIDES	CUBIST PHARMACEUTICALS, INC.	2004-09-21	—	—	US	claimed