SCHEMBL22755929

CCC(C)c1ccc(N(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccc(C)cc6)c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.36

▸	CYP2D6	P10635	1/20	0.36

▸	SLC6A2	P23975	2/20	0.35

▸	SLC6A4	P31645	2/20	0.35

▸	SIGMAR1	Q99720	6/20	0.35

▸	GRIA4	P48058	1/20	0.35

▸	CRHR1	P34998	1/20	0.33

▸	MCL1	Q07820	1/20	0.32

▸	ADRB2	P07550	2/20	0.32

▸	DHODH	Q02127	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
SCHEMBL12299105	0.92	SLC6A2 (0.39)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299106	0.91	SLC6A2 (0.38)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL13027951	0.91	SIGMAR1 (0.38)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL13027991	0.91	SIGMAR1 (0.38)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL13351437	0.91	SIGMAR1 (0.38)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299078	0.90	SLC6A2 (0.38)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299097	0.90	SLC6A2 (0.38)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12787368	0.89	CYP1A2 (0.35)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL16716223	0.88	GAA (0.36)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1
SCHEMBL12299154	0.88	SIGMAR1 (0.41)	CYP1A2CYP2D6SLC6A2SLC6A4SIGMAR1

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-3010068-B1	ORGANIC LIGHT-EMITTING DEVICE	SAMSUNG DISPLAY CO LTD (KR)	2020-12-09	—	—	EP	disclosed