SCHEMBL27700179

Cc1ccc(-c2cc3cc(CN4CCN(CCO)CC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2C(=O)C1NCc2c(C)ccc(-c3cc4cc(CN5CCN(CCO)CC5)ccc4n3C(=O)OC(C)(C)C)c21

nearest known ligand 0.37

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NR1H2	P55055	14/20	0.37

▸	PKM	P14618	1/20	0.34

▸	NR1H3	Q13133	3/20	0.33

▸	ATR	Q13535	1/20	0.33

▸	ATRIP	Q8WXE1	1/20	0.33

▸	BRD4	O60885	1/20	0.33

▸	CREBBP	Q92793	1/20	0.33

▸	NSD2	O96028	1/20	0.32

▸	SUCNR1	Q9BXA5	1/20	0.32

▸	IDO1	P14902	1/20	0.32

▸	TDO2	P48775	1/20	0.32

▸	IDO2	Q6ZQW0	1/20	0.32

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
SCHEMBL27720923	0.93	NR1H2 (0.37)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL27700267	0.92	NR1H2 (0.36)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL28772314	0.92	NR1H2 (0.36)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL27720693	0.91	NR1H2 (0.35)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL27720822	0.89	NR1H2 (0.34)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL27700250	0.88	NR1H2 (0.36)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL27700241	0.88	NR1H2 (0.35)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL28772272	0.88	NR1H2 (0.33)	NR1H2PKMNR1H3ATRATRIP
SCHEMBL27720679	0.87	NR1H2 (0.35)	NR1H2PKMNR1H3BRD4CREBBP
SCHEMBL27700342	0.87	DRD2 (0.33)	NR1H2ATRATRIPBRD4SUCNR1

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
CN-101163675-A	Nitrogen-containing heterocyclic compound	KYOWA HAKKO KOGYO KK (JP)	2008-04-16	—	—	CN	disclosed