SCHEMBL30712959

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

nearest known ligand 0.71

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	TFPI	P10646	4/20	0.64

▸	RAMP3	O60896	3/20	0.64

▸	CALCR	P30988	3/20	0.64

▸	NMUR2	Q9GZQ4	3/20	0.64

▸	NMUR1	Q9HB89	3/20	0.64

▸	EP300	Q09472	1/20	0.61

▸	HIF1A	Q16665	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
SCHEMBL30495657	0.92	EPHA2 (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495778	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL22263594	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182662	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495690	0.89	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495721	0.89	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31474428	0.89	RAMP3 (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182639	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL31182900	0.88	CALCR (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30834205	0.88	NPY2R (0.66)	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