SCHEMBL27700342

CC(C)(C)OC(=O)NCCCOc1ccc(-c2cc3cc(CN4CCN(CCO)CC4)ccc3n2C(=O)OC(C)(C)C)c2c1CNC2C(=O)C1NCc2c(OCCCNC(=O)OC(C)(C)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
▸	DRD2	P14416	5/20	0.33

▸	NR1H2	P55055	4/20	0.33

▸	SUCNR1	Q9BXA5	1/20	0.33

▸	ATR	Q13535	4/20	0.33

▸	ATRIP	Q8WXE1	4/20	0.33

▸	CCNC	P24863	1/20	0.33

▸	CDK8	P49336	1/20	0.33

▸	BRD4	O60885	1/20	0.32

▸	MAPK1	P28482	1/20	0.32

▸	SIGMAR1	Q99720	1/20	0.32

▸	CCNT1	O60563	1/20	0.32

▸	CDK9	P50750	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
SCHEMBL5133804	0.87	DRD2 (0.36)	DRD2NR1H2SUCNR1ATRATRIP
SCHEMBL27700179	0.87	NR1H2 (0.37)	NR1H2SUCNR1ATRATRIPBRD4
SCHEMBL27720822	0.86	NR1H2 (0.34)	NR1H2ATRATRIP
SCHEMBL3037100	0.86	DRD2 (0.34)	DRD2NR1H2SUCNR1BRD4MAPK1
SCHEMBL27720923	0.85	NR1H2 (0.37)	NR1H2ATRATRIPBRD4
SCHEMBL27700218	0.85	NR1H2 (0.33)	NR1H2
SCHEMBL27700267	0.85	NR1H2 (0.36)	NR1H2ATRATRIPBRD4
SCHEMBL28772314	0.85	NR1H2 (0.36)	NR1H2ATRATRIPBRD4
SCHEMBL27700250	0.81	NR1H2 (0.36)	NR1H2ATRATRIPBRD4
SCHEMBL27700241	0.81	NR1H2 (0.35)	NR1H2ATRATRIPBRD4

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