SCHEMBL9068934

CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.52

▸	KEAP1	Q14145	2/20	0.49

▸	CAPN1	P07384	3/20	0.45

▸	SLC6A2	P23975	1/20	0.44

▸	KISS1R	Q969F8	2/20	0.44

▸	CTSB	P07858	1/20	0.43

▸	NMUR2	Q9GZQ4	1/20	0.43

▸	PRMT5	O14744	1/20	0.43

▸	WDR77	Q9BQA1	1/20	0.43

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
SCHEMBL9082723	0.98	CALCRL (0.55)	CALCRLKEAP1CAPN1SLC6A2KISS1R
SCHEMBL7401470	0.94	CALCRL (0.48)	CALCRLKEAP1SLC6A2KISS1R
SCHEMBL7400113	0.91	CALCRL (0.51)	CALCRLKEAP1SLC6A2PRMT5WDR77
SCHEMBL7396690	0.88	SLC6A2 (0.46)	CALCRLKEAP1CAPN1SLC6A2KISS1R
SCHEMBL31497328	0.88	KEAP1 (0.52)	CALCRLKEAP1CAPN1KISS1RNMUR2
SCHEMBL31497340	0.86	KEAP1 (0.54)	CALCRLKEAP1CAPN1KISS1RNMUR2
SCHEMBL31497335	0.85	KEAP1 (0.55)	CALCRLKEAP1CAPN1KISS1RCTSB
SCHEMBL7735845	0.84	CALCRL (0.45)	CALCRLSLC6A2PRMT5WDR77
SCHEMBL17365609	0.83	NMUR2 (0.44)	CALCRLKEAP1CAPN1NMUR2PRMT5
SCHEMBL31497333	0.83	CALCRL (0.52)	CALCRLKEAP1CAPN1KISS1RCTSB

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-5504070-A	ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS	BERLEX LABORATORIES, INC. (US)	1996-04-02	—	—	US	disclosed