SCHEMBL26961745

CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)c2ccc(-c3nnc(C4CCN(C(=O)OCc5ccccc5)C4)o3)cc2N(Cc2ccc(OC3CCCC3)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PDE4B	Q07343	2/20	0.40

▸	MCHR1	Q99705	9/20	0.36

▸	KCNH2	Q12809	8/20	0.36

▸	SMN1; SMN2	Q16637	2/20	0.36

▸	GAA	P10253	1/20	0.36

▸	THRB	P10828	1/20	0.36

▸	GPR119	Q8TDV5	1/20	0.35

▸	PPARG	P37231	2/20	0.34

▸	NPY1R	P25929	1/20	0.34

▸	PRMT5	O14744	1/20	0.33

▸	MAPT	P10636	1/20	0.33

▸	TLR8	Q9NR97	1/20	0.33

▸	TLR7	Q9NYK1	1/20	0.33

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
SCHEMBL26961685	0.93	MCHR1 (0.38)	PDE4BMCHR1KCNH2SMN1; SMN2TLR8
SCHEMBL26962000	0.89	PDE4B (0.40)	PDE4BMCHR1KCNH2SMN1; SMN2GAA
SCHEMBL26961790	0.84	KCNH2 (0.34)	MCHR1KCNH2NPY1RTLR8TLR7
SCHEMBL26962135	0.84	ABHD6 (0.33)	PDE4BNPY1R
SCHEMBL26962322	0.83	PDE4B (0.33)	PDE4BSMN1; SMN2GAATHRBNPY1R
SCHEMBL26961853	0.83	PDE4B (0.38)	PDE4BMCHR1KCNH2GPR119PPARG
SCHEMBL26961578	0.81	MCHR1 (0.41)	PDE4BMCHR1KCNH2
SCHEMBL26962286	0.80	TRPC3 (0.36)	PDE4BSMN1; SMN2GAATHRBGPR119
SCHEMBL26961891	0.75	KCNH2 (0.34)	PDE4BMCHR1KCNH2SMN1; SMN2MAPT
SCHEMBL26961664	0.74	GCGR (0.35)	NPY1R

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-4291558-A1	BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER	F. Hoffmann-La Roche AG (CH)	2023-12-20	—	—	EP	disclosed