SCHEMBL30712954

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CN)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.66

▸	NMUR1	Q9HB89	4/20	0.66

▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	TFPI	P10646	4/20	0.64

▸	KEAP1	Q14145	1/20	0.62

▸	RAMP3	O60896	1/20	0.61

▸	CALCR	P30988	1/20	0.61

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
SCHEMBL31182472	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906497	0.91	NPY2R (0.69)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31182629	0.90	MAPK8 (0.68)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31694487	0.90	KEAP1 (0.68)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30648458	0.90	NPY2R (0.71)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30906377	0.89	NPY2R (0.71)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30432104	0.89	TFPI (0.69)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL29903364	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495778	0.89	NPY2R (0.69)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30818417	0.89	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed