SCHEMBL29634905

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	2/20	0.56

▸	AGTR2	P50052	1/20	0.56

▸	C5AR1	P21730	1/20	0.55

▸	NTSR1	P30989	13/20	0.54

▸	NTSR2	O95665	11/20	0.54

▸	SORT1	Q99523	10/20	0.54

▸	EPHA2	P29317	2/20	0.53

▸	F2	P00734	1/20	0.51

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
SCHEMBL29429586	0.98	NTSR1 (0.56)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL30082469	0.98	C5AR1 (0.54)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL30116695	0.95	C5AR1 (0.57)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL30230103	0.92	C5AR1 (0.50)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL29701260	0.92	C5AR1 (0.60)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL29903358	0.91	F2 (0.61)	F2
SCHEMBL29973760	0.91	AGTR2 (0.63)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL29701256	0.91	AGTR2 (0.65)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL9010599	0.91	AGTR1 (0.62)	AGTR1AGTR2C5AR1NTSR1NTSR2
SCHEMBL9010604	0.91	AGTR1 (0.62)	AGTR1AGTR2C5AR1NTSR1NTSR2

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
WO-2022098847-A1	TOLCAPONE ANALOGS AND METHODS OF USE	CORINO THERAPEUTICS, INC. (US)	2022-05-12	—	—	WO	disclosed