SCHEMBL8894949

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)C(C)C)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.61

▸	BACE2	Q9Y5Z0	1/20	0.61

▸	IL23R	Q5VWK5	8/20	0.60

▸	TFPI	P10646	1/20	0.60

▸	KISS1R	Q969F8	10/20	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
SCHEMBL8893062	0.96	IL23R (0.57)	BACE1BACE2IL23RTFPIKISS1R
SCHEMBL8894994	0.91	KISS1R (0.59)	BACE1BACE2IL23RKISS1R
SCHEMBL31369291	0.90	KISS1R (0.61)	BACE1BACE2IL23RTFPIKISS1R
SCHEMBL31114998	0.88	NPY4R (0.58)	BACE1BACE2TFPIKISS1R
SCHEMBL29611494	0.86	BACE1 (0.58)	BACE1BACE2IL23RTFPI
SCHEMBL8894942	0.85	GLP1R (0.53)	IL23RTFPIKISS1R
SCHEMBL9341191	0.85	NPY1R (0.51)	BACE1BACE2IL23RTFPI
SCHEMBL8894659	0.85	VIPR2 (0.56)	BACE1BACE2IL23RKISS1R
SCHEMBL14342311	0.84	CTSB (0.56)	BACE1BACE2TFPIKISS1R
SCHEMBL31369292	0.84	KISS1R (0.57)	BACE1BACE2IL23RTFPIKISS1R

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-5618785-A	ANTIISCHEMIC AGENTS, ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS	CENTOCOR, INC. (US)	1997-04-08	—	—	US	disclosed