SCHEMBL20054460

CC(C)(C)OC(=O)NC(c1ncc(-c2ccc3cc(-c4ccc5nc(C(NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	AAK1	Q2M2I8	7/20	0.51

▸	SSTR3	P32745	1/20	0.42

▸	LCK	P06239	1/20	0.36

▸	TRPV1	Q8NER1	1/20	0.35

▸	SCN10A	Q9Y5Y9	3/20	0.35

▸	GSK3B	P49841	1/20	0.35

▸	DYRK1A	Q13627	1/20	0.35

▸	PTPN1	P18031	1/20	0.35

▸	GABRB1	P18505	1/20	0.34

▸	GABRB2	P47870	1/20	0.34

▸	HDAC1	Q13547	1/20	0.34

▸	TBK1	Q9UHD2	1/20	0.34

▸	MLKL	Q8NB16	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
SCHEMBL15116771	1.00	AAK1 (0.51)	AAK1SSTR3LCKTRPV1SCN10A
SCHEMBL15116803	0.94	AAK1 (0.55)	AAK1SSTR3LCKTRPV1SCN10A
SCHEMBL20054558	0.94	AAK1 (0.55)	AAK1SSTR3LCKTRPV1SCN10A
SCHEMBL15116865	0.94	AAK1 (0.55)	AAK1SSTR3LCKTRPV1SCN10A
SCHEMBL19414754	0.89	SSTR3 (0.46)	AAK1SSTR3GSK3BDYRK1AGABRB1
SCHEMBL12117653	0.89	SSTR3 (0.46)	AAK1SSTR3GSK3BDYRK1AGABRB1
SCHEMBL15125237	0.88	AAK1 (0.54)	AAK1SSTR3TRPV1SCN10ATBK1
SCHEMBL15116811	0.88	SSTR3 (0.44)	AAK1SSTR3GSK3BDYRK1AGABRB1
SCHEMBL20054377	0.88	SSTR3 (0.44)	AAK1SSTR3GSK3BDYRK1AGABRB1
SCHEMBL15116796	0.88	AAK1 (0.39)	AAK1SCN10AHDAC1

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-2802326-B1	HEPATITIS C VIRUS INHIBITORS	BRISTOL MYERS SQUIBB CO (US)	2018-04-18	—	—	EP	disclosed