SCHEMBL6676663

C=CCOC(=O)CC[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)NC3CCCCC3)C(=O)N12)C(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CASP1	P29466	7/20	0.43

▸	IL1B	P01584	2/20	0.39

▸	RAB9A	P51151	2/20	0.39

▸	MEN1	O00255	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

▸	CASP3	P42574	1/20	0.39

▸	CASP6	P55212	1/20	0.39

▸	CASP8	Q14790	1/20	0.39

▸	MME	P08473	1/20	0.38

▸	ACE	P12821	1/20	0.38

▸	LCK	P06239	9/20	0.37

▸	NPC1	O15118	1/20	0.36

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
SCHEMBL6631460	0.90	CASP1 (0.48)	CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL6676416	0.88	CASP1 (0.39)	CASP1IL1BMMEACELCK
SCHEMBL6671983	0.86	CASP1 (0.38)	CASP1IL1BMMEACELCK
SCHEMBL6629773	0.86	CASP1 (0.44)	CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL6629364	0.86	CASP1 (0.50)	CASP1IL1BCASP3CASP6CASP8
SCHEMBL6629124	0.85	CASP3 (0.48)	CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL6629120	0.85	CASP3 (0.48)	CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL6670787	0.83	CASP1 (0.36)	CASP1IL1BMMEACELCK
SCHEMBL6629127	0.80	RAB9A (0.46)	CASP1IL1BRAB9AMEN1KMT2A
SCHEMBL6626745	0.79	CASP1 (0.47)	CASP1IL1BMMEACELCK

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