SCHEMBL13086158

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

nearest known ligand 0.64

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	6/20	0.64

▸	NMUR1	Q9HB89	6/20	0.64

▸	TFPI	P10646	5/20	0.62

▸	OPRM1	P35372	6/20	0.60

▸	OPRK1	P41145	6/20	0.60

▸	EPHA2	P29317	2/20	0.58

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
SCHEMBL17722478	0.98	TFPI (0.64)	NMUR2NMUR1TFPIOPRM1OPRK1
SCHEMBL17722497	0.96	TFPI (0.61)	NMUR2NMUR1TFPIOPRM1OPRK1
SCHEMBL26454604	0.96	NMUR2 (0.60)	NMUR2NMUR1TFPIOPRM1OPRK1
SCHEMBL17722477	0.95	TFPI (0.63)	NMUR2NMUR1TFPIEPHA2
SCHEMBL17722496	0.94	TFPI (0.61)	NMUR2NMUR1TFPIOPRM1OPRK1
SCHEMBL26454508	0.94	TFPI (0.63)	NMUR2NMUR1TFPIEPHA2
SCHEMBL26454355	0.94	NMUR2 (0.58)	NMUR2NMUR1TFPIOPRM1OPRK1
SCHEMBL17722481	0.93	TFPI (0.66)	TFPIEPHA2
SCHEMBL26454697	0.93	TFPI (0.63)	NMUR2NMUR1TFPI
SCHEMBL17722479	0.93	CXCL8 (0.62)	NMUR2NMUR1TFPI

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-2010111737-A1	PEPTIDE AND PHOSPHOPEPTIDE SYNTHESIS VIA PHOSPHATE ASSISTED LIGATION	THE UNIVERSITY OF SYDNEY (AU)	2010-10-07	—	—	WO	disclosed