SCHEMBL30439203

CCCC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)CC

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	F13A1	P00488	2/20	0.63

▸	TGM2	P21980	2/20	0.63

▸	NTSR2	O95665	7/20	0.56

▸	NTSR1	P30989	7/20	0.56

▸	SORT1	Q99523	7/20	0.56

▸	CAPN1	P07384	2/20	0.55

▸	CTSB	P07858	2/20	0.55

▸	DPP3	Q9NY33	5/20	0.51

▸	REN	P00797	1/20	0.49

▸	KISS1R	Q969F8	2/20	0.49

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
SCHEMBL30439190	0.94	F13A1 (0.59)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL30140869	0.88	F13A1 (0.64)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL30361030	0.87	F13A1 (0.56)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL15800625	0.86	TGM2 (0.82)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL29913297	0.84	NTSR2 (0.65)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL30093409	0.83	F13A1 (0.56)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL30093405	0.83	F13A1 (0.58)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL32681272	0.82	DPP3 (0.62)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL30881959	0.82	DPP3 (0.57)	F13A1TGM2NTSR2NTSR1SORT1
SCHEMBL30881950	0.82	DPP3 (0.55)	F13A1TGM2NTSR2NTSR1SORT1

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
EP-3405477-B1	INHIBITORS OF TRANSGLUTAMINASES	ZEDIRA GMBH (DE)	2023-06-07	—	—	EP	disclosed