SCHEMBL30712913

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

nearest known ligand 0.75

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	9/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	7/20	0.64

▸	TFPI	P10646	4/20	0.61

▸	OPRD1	P41143	2/20	0.60

▸	KEAP1	Q14145	1/20	0.60

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
SCHEMBL30432021	0.93	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182450	0.93	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182841	0.92	TFPI (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30658303	0.92	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30435943	0.92	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29489266	0.91	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182678	0.91	NPY2R (0.63)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182963	0.90	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL23895420	0.90	OPRD1 (0.62)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182925	0.90	CALCR (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