SCHEMBL21581731

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

nearest known ligand 0.59

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	7/20	0.59

▸	NMUR1	Q9HB89	6/20	0.59

▸	CXCL8	P10145	4/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	TFPI	P10646	2/20	0.51

▸	OPRM1	P35372	1/20	0.51

▸	OPRD1	P41143	1/20	0.51

▸	F2	P00734	1/20	0.51

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
SCHEMBL26454604	0.91	NMUR2 (0.60)	NMUR2NMUR1TFPIOPRM1
SCHEMBL17722477	0.89	TFPI (0.63)	NMUR2NMUR1CXCL8TFPI
SCHEMBL26454355	0.88	NMUR2 (0.58)	NMUR2NMUR1TFPIOPRM1
SCHEMBL26454697	0.88	TFPI (0.63)	NMUR2NMUR1TFPI
SCHEMBL17722497	0.88	TFPI (0.61)	NMUR2NMUR1TFPIOPRM1
SCHEMBL13086158	0.87	NMUR2 (0.64)	NMUR2NMUR1TFPIOPRM1
SCHEMBL26454508	0.87	TFPI (0.63)	NMUR2NMUR1TFPI
SCHEMBL26454899	0.86	NMUR2 (0.57)	NMUR2NMUR1TFPIOPRM1OPRD1
SCHEMBL17722478	0.86	TFPI (0.64)	NMUR2NMUR1TFPIOPRM1
SCHEMBL26454452	0.86	TFPI (0.61)	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-2019222805-A1	NEW SYNTHETIC METHODS USING NATIVE CHEMICAL LIGATION IN FLOW	THE UNIVERSITY OF SYDNEY (AU)	2019-11-28	—	—	WO	disclosed