SCHEMBL30712956

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

nearest known ligand 0.79

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	10/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	NPY1R	P25929	8/20	0.66

▸	CXCR4	P61073	3/20	0.64

▸	CALCR	P30988	4/20	0.63

▸	TFPI	P10646	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
SCHEMBL30658265	0.93	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432502	0.93	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31000870	0.92	MAPK8 (0.67)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578729	0.92	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578733	0.92	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL9717732	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658303	0.91	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30578734	0.91	CALCR (0.73)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29530732	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30335483	0.91	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCALCR

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