SCHEMBL5081623

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)C=[N+]=[N-])C(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CASP1	P29466	3/20	0.60

▸	BACE1	P56817	4/20	0.53

▸	BACE2	Q9Y5Z0	3/20	0.53

▸	OPRD1	P41143	3/20	0.52

▸	CASP3	P42574	2/20	0.48

▸	CASP7	P55210	1/20	0.48

▸	CASP9	P55211	1/20	0.44

▸	REN	P00797	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
SCHEMBL7418200	0.91	CASP1 (0.62)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL7420728	0.87	CASP1 (0.57)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL9241543	0.85	CASP1 (0.67)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL27825824	0.85	CASP1 (0.67)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL23931322	0.84	CASP1 (0.61)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL812941	0.84	CASP1 (0.61)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL7416737	0.84	CASP1 (0.53)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL7425546	0.83	CASP1 (0.54)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL29030118	0.83	CASP1 (0.64)	CASP1BACE1BACE2OPRD1CASP3
SCHEMBL18087495	0.82	CASP1 (0.63)	CASP1BACE1BACE2OPRD1CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20080026003-A1	Methods for inhibiting pain	THE GENERAL HOSPITAL CORPORATION (US)	2008-01-31	—	—	US	disclosed
US-20040105859-A1	Methods for inhibiting pain	GENERAL HOSPITAL CORPORATION, THE	2004-06-03	—	—	US	disclosed