SCHEMBL6676416

C=CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NS(C)(=O)=O)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CASP1	P29466	7/20	0.39

▸	IL1B	P01584	2/20	0.37

▸	LCK	P06239	12/20	0.36

▸	MME	P08473	1/20	0.34

▸	ACE	P12821	1/20	0.34

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
SCHEMBL6627405	0.90	CASP1 (0.44)	CASP1IL1BLCKMMEACE
SCHEMBL6670787	0.89	CASP1 (0.36)	CASP1IL1BLCKMMEACE
SCHEMBL6676663	0.88	CASP1 (0.43)	CASP1IL1BLCKMMEACE
SCHEMBL6627181	0.86	CASP1 (0.41)	CASP1IL1BLCKMMEACE
SCHEMBL10200726	0.86	CASP1 (0.48)	CASP1IL1BLCK
SCHEMBL6627474	0.86	CASP1 (0.41)	CASP1IL1BLCKMMEACE
SCHEMBL6627471	0.86	CASP1 (0.41)	CASP1IL1BLCKMMEACE
SCHEMBL6627545	0.85	LCK (0.47)	CASP1LCKMMEACE
SCHEMBL6627543	0.85	LCK (0.47)	CASP1LCKMMEACE
SCHEMBL6671983	0.83	CASP1 (0.38)	CASP1IL1BLCKMMEACE

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-1246824-B1	CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF	AVENTIS PHARMA SA (FR)	2004-06-09	—	—	EP	disclosed